2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine

C23H24ClNO2 — CID 2169083

IUPAC2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2ccc(Cl)cc2)cc1OCc1ccccc1
InChIInChI=1S/C23H24ClNO2/c1-26-22-12-9-20(15-23(22)27-17-19-5-3-2-4-6-19)16-25-14-13-18-7-10-21(24)11-8-18/h2-12,15,25H,13-14,16-17H2,1H3
InChIKeyBZKFKMJKMGZZKC-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.26
Rot. Bonds9

About 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 2169083) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID2169083
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2ccc(Cl)cc2)cc1OCc1ccccc1
InChIInChI=1S/C23H24ClNO2/c1-26-22-12-9-20(15-23(22)27-17-19-5-3-2-4-6-19)16-25-14-13-18-7-10-21(24)11-8-18/h2-12,15,25H,13-14,16-17H2,1H3
InChIKeyBZKFKMJKMGZZKC-UHFFFAOYSA-N
XLogP5.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine (CID 2169083) is 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine is COc1ccc(CNCCc2ccc(Cl)cc2)cc1OCc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is BZKFKMJKMGZZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-26-22-12-9-20(15-23(22)27-17-19-5-3-2-4-6-19)16-25-14-13-18-7-10-21(24)11-8-18/h2-12,15,25H,13-14,16-17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 381.90 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2169083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).