4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline

C16H24ClN — CID 107447847

IUPAC4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(Cl)ccc1NC1CCCC(C(C)C)C1
InChIInChI=1S/C16H24ClN/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h7-9,11,13,15,18H,4-6,10H2,1-3H3
InChIKeyFIXXAYHOIJIAMY-UHFFFAOYSA-N
MW265.83 g/mol
LogP5.28
Rot. Bonds3

About 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline

4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447847) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447847
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(Cl)ccc1NC1CCCC(C(C)C)C1
InChIInChI=1S/C16H24ClN/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h7-9,11,13,15,18H,4-6,10H2,1-3H3
InChIKeyFIXXAYHOIJIAMY-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.83
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427949
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
N-(4-chloro-2-iodophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107631697
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
CID 64594827
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447764
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447847) is 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline is Cc1cc(Cl)ccc1NC1CCCC(C(C)C)C1.
What is the InChIKey of 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is FIXXAYHOIJIAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h7-9,11,13,15,18H,4-6,10H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 265.83 g/mol, XLogP of 5.28, 3 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-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).