3-chloro-N-cyclohexyl-2-methylaniline

C13H18ClN — CID 29276475

IUPAC3-chloro-N-cyclohexyl-2-methylaniline
SMILESCc1c(Cl)cccc1NC1CCCCC1
InChIInChI=1S/C13H18ClN/c1-10-12(14)8-5-9-13(10)15-11-6-3-2-4-7-11/h5,8-9,11,15H,2-4,6-7H2,1H3
InChIKeyLCMNXLMTNGPRMS-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.39
Rot. Bonds2

About 3-chloro-N-cyclohexyl-2-methylaniline

3-chloro-N-cyclohexyl-2-methylaniline (PubChem CID 29276475) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-2-methylaniline
PubChem CID29276475
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-chloro-N-cyclohexyl-2-methylaniline
SMILESCc1c(Cl)cccc1NC1CCCCC1
InChIInChI=1S/C13H18ClN/c1-10-12(14)8-5-9-13(10)15-11-6-3-2-4-7-11/h5,8-9,11,15H,2-4,6-7H2,1H3
InChIKeyLCMNXLMTNGPRMS-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
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3-chloro-N-cyclohexyl-2-fluoroaniline
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1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
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6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
2,6-dichloro-N-cyclohexylaniline
CID 65469917
3-chloro-N-cyclopentyl-2-methoxyaniline
CID 115884195
5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942482
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617
[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium
CID 176714234

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-2-methylaniline?
The IUPAC name of 3-chloro-N-cyclohexyl-2-methylaniline (CID 29276475) is 3-chloro-N-cyclohexyl-2-methylaniline.
What is the SMILES notation for 3-chloro-N-cyclohexyl-2-methylaniline?
The canonical SMILES for 3-chloro-N-cyclohexyl-2-methylaniline is Cc1c(Cl)cccc1NC1CCCCC1.
What is the InChIKey of 3-chloro-N-cyclohexyl-2-methylaniline?
The InChIKey is LCMNXLMTNGPRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-12(14)8-5-9-13(10)15-11-6-3-2-4-7-11/h5,8-9,11,15H,2-4,6-7H2,1H3.
What are the key properties of 3-chloro-N-cyclohexyl-2-methylaniline?
3-chloro-N-cyclohexyl-2-methylaniline has a molecular weight of 223.75 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-2-methylaniline is sourced from PubChem (CID 29276475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).