2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride

C16H20ClNO — CID 170893543

IUPAC2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride
SMILESCc1ccccc1-c1ccccc1CC(N)CO.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-6-2-4-8-15(12)16-9-5-3-7-13(16)10-14(17)11-18;/h2-9,14,18H,10-11,17H2,1H3;1H
InChIKeyGTJNVJCFGHXDQN-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.95
Rot. Bonds4

About 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride

2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 170893543) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride
PubChem CID170893543
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride
SMILESCc1ccccc1-c1ccccc1CC(N)CO.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-6-2-4-8-15(12)16-9-5-3-7-13(16)10-14(17)11-18;/h2-9,14,18H,10-11,17H2,1H3;1H
InChIKeyGTJNVJCFGHXDQN-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
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2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride (CID 170893543) is 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride is Cc1ccccc1-c1ccccc1CC(N)CO.Cl.
What is the InChIKey of 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is GTJNVJCFGHXDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-12-6-2-4-8-15(12)16-9-5-3-7-13(16)10-14(17)11-18;/h2-9,14,18H,10-11,17H2,1H3;1H.
What are the key properties of 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).