5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline

C16H22ClN — CID 64594827

IUPAC5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
SMILESCc1ccc(Cl)cc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22ClN/c1-11-5-8-14(17)10-16(11)18-15-4-2-3-13(9-15)12-6-7-12/h5,8,10,12-13,15,18H,2-4,6-7,9H2,1H3
InChIKeyRIEDCCJNTDBBKR-UHFFFAOYSA-N
MW263.81 g/mol
LogP5.03
Rot. Bonds3

About 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline

5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline (PubChem CID 64594827) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
PubChem CID64594827
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
SMILESCc1ccc(Cl)cc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22ClN/c1-11-5-8-14(17)10-16(11)18-15-4-2-3-13(9-15)12-6-7-12/h5,8,10,12-13,15,18H,2-4,6-7,9H2,1H3
InChIKeyRIEDCCJNTDBBKR-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.81
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-chlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81264539
methyl 3-[(3-cyclopropylcyclohexyl)amino]-4-methylbenzoate
CID 64596018
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
N-(5-chloro-2-methylphenyl)thian-4-amine
CID 43511220
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
CID 64594666
4-(5-chloro-2-methylanilino)cyclohexan-1-one
CID 117027853
4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447847
N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43766112
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline?
The IUPAC name of 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline (CID 64594827) is 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline.
What is the SMILES notation for 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline?
The canonical SMILES for 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline is Cc1ccc(Cl)cc1NC1CCCC(C2CC2)C1.
What is the InChIKey of 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline?
The InChIKey is RIEDCCJNTDBBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-11-5-8-14(17)10-16(11)18-15-4-2-3-13(9-15)12-6-7-12/h5,8,10,12-13,15,18H,2-4,6-7,9H2,1H3.
What are the key properties of 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline?
5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline has a molecular weight of 263.81 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 5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline is sourced from PubChem (CID 64594827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).