1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine

C21H19Cl2NO — CID 22483117

IUPAC1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15(20-12-9-17(22)13-21(20)23)24-14-16-7-10-19(11-8-16)25-18-5-3-2-4-6-18/h2-13,15,24H,14H2,1H3
InChIKeyMELMGXQOPNQRRV-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.64
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine

1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine (PubChem CID 22483117) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
PubChem CID22483117
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15(20-12-9-17(22)13-21(20)23)24-14-16-7-10-19(11-8-16)25-18-5-3-2-4-6-18/h2-13,15,24H,14H2,1H3
InChIKeyMELMGXQOPNQRRV-UHFFFAOYSA-N
XLogP6.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483298
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4828683
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
(1S)-1-(2,4-dichlorophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 9254406
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
(1S)-1-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 28600399
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
CID 79167721
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211092

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine (CID 22483117) is 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine is CC(NCc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The InChIKey is MELMGXQOPNQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15(20-12-9-17(22)13-21(20)23)24-14-16-7-10-19(11-8-16)25-18-5-3-2-4-6-18/h2-13,15,24H,14H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine has a molecular weight of 372.30 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 22483117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).