4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline

C14H20ClN — CID 43111567

IUPAC4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
SMILESCc1cc(Cl)ccc1NC1CCCC(C)C1
InChIInChI=1S/C14H20ClN/c1-10-4-3-5-13(8-10)16-14-7-6-12(15)9-11(14)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3
InChIKeyZQJBVXMXGKIRSL-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.64
Rot. Bonds2

About 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline

4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 43111567) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID43111567
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
SMILESCc1cc(Cl)ccc1NC1CCCC(C)C1
InChIInChI=1S/C14H20ClN/c1-10-4-3-5-13(8-10)16-14-7-6-12(15)9-11(14)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3
InChIKeyZQJBVXMXGKIRSL-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447847
4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427949
4-chloro-N-(3-methylcyclohexyl)-2-nitroaniline
CID 43317145
2,4-dichloro-N-(3-methylcyclopentyl)aniline
CID 64502454
2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
CID 43107214
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
5-chloro-N-(3-methylcyclohexyl)-2-propoxyaniline
CID 63452896
2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581
5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
CID 64594827
4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43716735
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline (CID 43111567) is 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline is Cc1cc(Cl)ccc1NC1CCCC(C)C1.
What is the InChIKey of 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is ZQJBVXMXGKIRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-4-3-5-13(8-10)16-14-7-6-12(15)9-11(14)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline?
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 237.77 g/mol, XLogP of 4.64, 2 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-methylcyclohexyl)aniline is sourced from PubChem (CID 43111567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).