2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine

C22H22ClNO — CID 17208389

IUPAC2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESClc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22ClNO/c23-21-10-6-18(7-11-21)14-15-24-16-19-8-12-22(13-9-19)25-17-20-4-2-1-3-5-20/h1-13,24H,14-17H2
InChIKeyZOMNRMXCKMIXJL-UHFFFAOYSA-N
MW351.88 g/mol
LogP5.25
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 17208389) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID17208389
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESClc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22ClNO/c23-21-10-6-18(7-11-21)14-15-24-16-19-8-12-22(13-9-19)25-17-20-4-2-1-3-5-20/h1-13,24H,14-17H2
InChIKeyZOMNRMXCKMIXJL-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (CID 17208389) is 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is Clc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is ZOMNRMXCKMIXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO/c23-21-10-6-18(7-11-21)14-15-24-16-19-8-12-22(13-9-19)25-17-20-4-2-1-3-5-20/h1-13,24H,14-17H2.
What are the key properties of 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 351.88 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 17208389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).