4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride

C19H26ClNO2 — CID 54602354

IUPAC4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
SMILESCOc1ccc(C(Cc2ccccc2)NCCCCO)cc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-22-18-11-9-17(10-12-18)19(20-13-5-6-14-21)15-16-7-3-2-4-8-16;/h2-4,7-12,19-21H,5-6,13-15H2,1H3;1H
InChIKeyNSRJITZCVFJPBF-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.76
Rot. Bonds9

About 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride

4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride (PubChem CID 54602354) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
PubChem CID54602354
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
SMILESCOc1ccc(C(Cc2ccccc2)NCCCCO)cc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-22-18-11-9-17(10-12-18)19(20-13-5-6-14-21)15-16-7-3-2-4-8-16;/h2-4,7-12,19-21H,5-6,13-15H2,1H3;1H
InChIKeyNSRJITZCVFJPBF-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;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

N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride?
The IUPAC name of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride (CID 54602354) is 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride is COc1ccc(C(Cc2ccccc2)NCCCCO)cc1.Cl.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride?
The InChIKey is NSRJITZCVFJPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-22-18-11-9-17(10-12-18)19(20-13-5-6-14-21)15-16-7-3-2-4-8-16;/h2-4,7-12,19-21H,5-6,13-15H2,1H3;1H.
What are the key properties of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride?
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride is sourced from PubChem (CID 54602354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).