1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

C22H22ClNO2 — CID 23647929

IUPAC1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H22ClNO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2
InChIKeyDORMHEIPQZLVCV-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.74
Rot. Bonds8

About 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 23647929) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID23647929
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H22ClNO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2
InChIKeyDORMHEIPQZLVCV-UHFFFAOYSA-N
XLogP4.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (CID 23647929) is 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is OC(CNCc1ccccc1OCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is DORMHEIPQZLVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2.
What are the key properties of 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 367.88 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).