4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline

C17H26ClN — CID 107427949

IUPAC4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCc1cc(Cl)ccc1NC1CCCC(CC(C)C)C1
InChIInChI=1S/C17H26ClN/c1-12(2)9-14-5-4-6-16(11-14)19-17-8-7-15(18)10-13(17)3/h7-8,10,12,14,16,19H,4-6,9,11H2,1-3H3
InChIKeyDBWTWXGCVRFBBZ-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.67
Rot. Bonds4

About 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline

4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline (PubChem CID 107427949) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
PubChem CID107427949
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCc1cc(Cl)ccc1NC1CCCC(CC(C)C)C1
InChIInChI=1S/C17H26ClN/c1-12(2)9-14-5-4-6-16(11-14)19-17-8-7-15(18)10-13(17)3/h7-8,10,12,14,16,19H,4-6,9,11H2,1-3H3
InChIKeyDBWTWXGCVRFBBZ-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427839
4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447847
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427902
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine
CID 107428570
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
CID 107700309
3-bromo-4-[[3-(2-methylpropyl)cyclohexyl]amino]benzonitrile
CID 107428188
2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428039
6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine
CID 107428686

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline (CID 107427949) is 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline is Cc1cc(Cl)ccc1NC1CCCC(CC(C)C)C1.
What is the InChIKey of 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The InChIKey is DBWTWXGCVRFBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-12(2)9-14-5-4-6-16(11-14)19-17-8-7-15(18)10-13(17)3/h7-8,10,12,14,16,19H,4-6,9,11H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline has a molecular weight of 279.86 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline is sourced from PubChem (CID 107427949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).