N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride

C18H24ClNO — CID 17156102

IUPACN-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccc(OC)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-3-7-18(16-8-5-4-6-9-16)19-14-15-10-12-17(20-2)13-11-15;/h4-6,8-13,18-19H,3,7,14H2,1-2H3;1H
InChIKeyDCZODNMEEJIXTD-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.75
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride

N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride (PubChem CID 17156102) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
PubChem CID17156102
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccc(OC)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-3-7-18(16-8-5-4-6-9-16)19-14-15-10-12-17(20-2)13-11-15;/h4-6,8-13,18-19H,3,7,14H2,1-2H3;1H
InChIKeyDCZODNMEEJIXTD-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 17156015
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17155994
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156057
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
CID 11301457

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride (CID 17156102) is N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride is CCCC(NCc1ccc(OC)cc1)c1ccccc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
The InChIKey is DCZODNMEEJIXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-3-7-18(16-8-5-4-6-9-16)19-14-15-10-12-17(20-2)13-11-15;/h4-6,8-13,18-19H,3,7,14H2,1-2H3;1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride?
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17156102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).