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

C23H24ClNO — CID 17208702

IUPAC2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H24ClNO/c1-18-5-7-20(8-6-18)17-26-23-4-2-3-21(15-23)16-25-14-13-19-9-11-22(24)12-10-19/h2-12,15,25H,13-14,16-17H2,1H3
InChIKeyQXUQLLGQAOHAIH-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.56
Rot. Bonds8

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

2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 17208702) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID17208702
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H24ClNO/c1-18-5-7-20(8-6-18)17-26-23-4-2-3-21(15-23)16-25-14-13-19-9-11-22(24)12-10-19/h2-12,15,25H,13-14,16-17H2,1H3
InChIKeyQXUQLLGQAOHAIH-UHFFFAOYSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.56
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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Related Compounds

N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17209881
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17055087
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine (CID 17208702) is 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine is Cc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is QXUQLLGQAOHAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-18-5-7-20(8-6-18)17-26-23-4-2-3-21(15-23)16-25-14-13-19-9-11-22(24)12-10-19/h2-12,15,25H,13-14,16-17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 365.90 g/mol, XLogP of 5.56, 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-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 17208702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).