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

C17H19Cl2N — CID 43080562

IUPAC1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CNC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-13-4-6-14(7-5-13)11-20-12(2)16-9-8-15(18)10-17(16)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyWUYFWMQMMHJVOD-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.41
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine (PubChem CID 43080562) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
PubChem CID43080562
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CNC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-13-4-6-14(7-5-13)11-20-12(2)16-9-8-15(18)10-17(16)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyWUYFWMQMMHJVOD-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409
1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483117
(1S)-1-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 28600399
2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
CID 79167721
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine (CID 43080562) is 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine is CCc1ccc(CNC(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
The InChIKey is WUYFWMQMMHJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-13-4-6-14(7-5-13)11-20-12(2)16-9-8-15(18)10-17(16)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43080562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).