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CAS 18655-52-2 3-(3-METHOXY-PHENYL)-PROPYLAMINE molecular structure lightbox
CAS RN: 18655-52-2

3-(3-METHOXY-PHENYL)-PROPYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS18655-52-2
  • Purity/Analytical Methods: >99.0%
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18655-52-2 / 3-(3-methoxyphenyl)propan-1-amine

Standard CAS: 18655-52-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18655-52-2
Multi CAS
No
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
SMILES
COC1=CC=CC(=C1)CCCN
InChI
InChI=1S/C10H15NO/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8H,3,5,7,11H2,1H3
InChIKey
CMIXSQAFEPGHMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.37
TPSA
35.25

LogP / Solubility

WLOGP
1.59
MLOGP
1.39
XLogP3
2
Consensus LogP
1.66
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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