4-(1-amino-2-phenylpropyl)phenol;hydrochloride

C15H18ClNO — CID 67712087

IUPAC4-(1-amino-2-phenylpropyl)phenol;hydrochloride
SMILESCC(c1ccccc1)C(N)c1ccc(O)cc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-11(12-5-3-2-4-6-12)15(16)13-7-9-14(17)10-8-13;/h2-11,15,17H,16H2,1H3;1H
InChIKeyILXPWAQSWYHIAD-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.62
Rot. Bonds3

About 4-(1-amino-2-phenylpropyl)phenol;hydrochloride

4-(1-amino-2-phenylpropyl)phenol;hydrochloride (PubChem CID 67712087) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-(1-amino-2-phenylpropyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(1-amino-2-phenylpropyl)phenol;hydrochloride
PubChem CID67712087
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name4-(1-amino-2-phenylpropyl)phenol;hydrochloride
SMILESCC(c1ccccc1)C(N)c1ccc(O)cc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-11(12-5-3-2-4-6-12)15(16)13-7-9-14(17)10-8-13;/h2-11,15,17H,16H2,1H3;1H
InChIKeyILXPWAQSWYHIAD-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-amino-2-phenylpropyl)phenol;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

bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1,2-diaminopropyl)phenol
CID 24841393
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
(1S)-1-amino-2-phenylpropan-1-ol
CID 130442875
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
3-amino-N-(4-hydroxyphenyl)-N,2-dimethyl-3-phenylpropanamide
CID 107734254
(1R,2R)-3,3-dimethyl-1-phenylbutane-1,2-diamine;dihydrochloride
CID 53487564

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-phenylpropyl)phenol;hydrochloride?
The IUPAC name of 4-(1-amino-2-phenylpropyl)phenol;hydrochloride (CID 67712087) is 4-(1-amino-2-phenylpropyl)phenol;hydrochloride.
What is the SMILES notation for 4-(1-amino-2-phenylpropyl)phenol;hydrochloride?
The canonical SMILES for 4-(1-amino-2-phenylpropyl)phenol;hydrochloride is CC(c1ccccc1)C(N)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-(1-amino-2-phenylpropyl)phenol;hydrochloride?
The InChIKey is ILXPWAQSWYHIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-11(12-5-3-2-4-6-12)15(16)13-7-9-14(17)10-8-13;/h2-11,15,17H,16H2,1H3;1H.
What are the key properties of 4-(1-amino-2-phenylpropyl)phenol;hydrochloride?
4-(1-amino-2-phenylpropyl)phenol;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-phenylpropyl)phenol;hydrochloride is sourced from PubChem (CID 67712087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).