2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride

C17H22ClNO — CID 170893059

IUPAC2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
SMILESCc1cc(C)cc(-c2ccc(CC(N)CO)cc2)c1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-12-7-13(2)9-16(8-12)15-5-3-14(4-6-15)10-17(18)11-19;/h3-9,17,19H,10-11,18H2,1-2H3;1H
InChIKeyPVWKKQIJBULZAK-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride

2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 170893059) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
PubChem CID170893059
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
SMILESCc1cc(C)cc(-c2ccc(CC(N)CO)cc2)c1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-12-7-13(2)9-16(8-12)15-5-3-14(4-6-15)10-17(18)11-19;/h3-9,17,19H,10-11,18H2,1-2H3;1H
InChIKeyPVWKKQIJBULZAK-UHFFFAOYSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
4-[4-(2-amino-3-hydroxypropyl)phenyl]benzoic acid;hydrochloride
CID 170892858
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629
1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
CID 123650314
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
4-(2-amino-3-hydroxypropyl)benzene-1,2-diol;hydrochloride
CID 170891857
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride
CID 170893490
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride (CID 170893059) is 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride is Cc1cc(C)cc(-c2ccc(CC(N)CO)cc2)c1.Cl.
What is the InChIKey of 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is PVWKKQIJBULZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-12-7-13(2)9-16(8-12)15-5-3-14(4-6-15)10-17(18)11-19;/h3-9,17,19H,10-11,18H2,1-2H3;1H.
What are the key properties of 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).