2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride

C16H19Cl2NO — CID 2975216

IUPAC2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccccc1Cl)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-12(16(19)13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17;/h2-10,12,16,18-19H,11H2,1H3;1H
InChIKeyOFFGXMZVZHMXMN-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.97
Rot. Bonds5

About 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride

2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 2975216) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID2975216
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccccc1Cl)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-12(16(19)13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17;/h2-10,12,16,18-19H,11H2,1H3;1H
InChIKeyOFFGXMZVZHMXMN-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 2975216) is 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is CC(NCc1ccccc1Cl)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is OFFGXMZVZHMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.ClH/c1-12(16(19)13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17;/h2-10,12,16,18-19H,11H2,1H3;1H.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2975216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).