3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride

C16H20ClNO — CID 170875108

IUPAC3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
SMILESCc1ccc(-c2ccc(C(N)CCO)cc2)cc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17)10-11-18;/h2-9,16,18H,10-11,17H2,1H3;1H
InChIKeyZGLJTEQIYLTKSC-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.47
Rot. Bonds4

About 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride

3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 170875108) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
PubChem CID170875108
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
SMILESCc1ccc(-c2ccc(C(N)CCO)cc2)cc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17)10-11-18;/h2-9,16,18H,10-11,17H2,1H3;1H
InChIKeyZGLJTEQIYLTKSC-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 171231171
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol
CID 170875213
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
CID 170874850
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride (CID 170875108) is 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride is Cc1ccc(-c2ccc(C(N)CCO)cc2)cc1.Cl.
What is the InChIKey of 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is ZGLJTEQIYLTKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17)10-11-18;/h2-9,16,18H,10-11,17H2,1H3;1H.
What are the key properties of 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride?
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170875108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).