N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline

C17H20ClN — CID 63448610

IUPACN-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN/c1-4-14-7-5-6-12(2)17(14)19-13(3)15-8-10-16(18)11-9-15/h5-11,13,19H,4H2,1-3H3
InChIKeyNZYBNPCYLLBWHA-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.38
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline

N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline (PubChem CID 63448610) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
PubChem CID63448610
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN/c1-4-14-7-5-6-12(2)17(14)19-13(3)15-8-10-16(18)11-9-15/h5-11,13,19H,4H2,1-3H3
InChIKeyNZYBNPCYLLBWHA-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline
CID 63448407
N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448450
N-[1-(4-chlorophenyl)ethyl]-2-methyl-6-nitroaniline
CID 115551399
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline
CID 54862115
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 9335096
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
N-(1-cyclopentylethyl)-2-ethyl-6-methylaniline
CID 63448490
[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 7709692
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline (CID 63448610) is N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline?
The InChIKey is NZYBNPCYLLBWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-4-14-7-5-6-12(2)17(14)19-13(3)15-8-10-16(18)11-9-15/h5-11,13,19H,4H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline?
N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline has a molecular weight of 273.81 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 63448610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).