2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride

C15H17Cl2NO — CID 6457628

IUPAC2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClNO.ClH/c16-14-8-4-5-12(9-14)10-17-11-15(18)13-6-2-1-3-7-13;/h1-9,15,17-18H,10-11H2;1H
InChIKeyKWPDYIBGVRMTKA-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.59
Rot. Bonds5

About 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride

2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 6457628) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID6457628
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClNO.ClH/c16-14-8-4-5-12(9-14)10-17-11-15(18)13-6-2-1-3-7-13;/h1-9,15,17-18H,10-11H2;1H
InChIKeyKWPDYIBGVRMTKA-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride (CID 6457628) is 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride is Cl.OC(CNCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is KWPDYIBGVRMTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO.ClH/c16-14-8-4-5-12(9-14)10-17-11-15(18)13-6-2-1-3-7-13;/h1-9,15,17-18H,10-11H2;1H.
What are the key properties of 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 298.21 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 6457628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).