2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline

C15H22ClN — CID 28967824

IUPAC2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C15H22ClN/c1-3-12-5-7-13(8-6-12)17-15-9-4-11(2)10-14(15)16/h4,9-10,12-13,17H,3,5-8H2,1-2H3
InChIKeyNTCLDOJMSHSQQJ-UHFFFAOYSA-N
MW251.80 g/mol
LogP5.03
Rot. Bonds3

About 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline

2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline (PubChem CID 28967824) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
PubChem CID28967824
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C15H22ClN/c1-3-12-5-7-13(8-6-12)17-15-9-4-11(2)10-14(15)16/h4,9-10,12-13,17H,3,5-8H2,1-2H3
InChIKeyNTCLDOJMSHSQQJ-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.80
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 65083669
2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753624
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
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2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine
CID 43685795
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 79724113
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
CID 83167830
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline?
The IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline (CID 28967824) is 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline.
What is the SMILES notation for 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline?
The canonical SMILES for 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline is CCC1CCC(Nc2ccc(C)cc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline?
The InChIKey is NTCLDOJMSHSQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-12-5-7-13(8-6-12)17-15-9-4-11(2)10-14(15)16/h4,9-10,12-13,17H,3,5-8H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline?
2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline has a molecular weight of 251.80 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline is sourced from PubChem (CID 28967824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).