2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C17H26ClN — CID 106864992

IUPAC2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(CC2CC(C(C)C)CCC2N)c(Cl)c1
InChIInChI=1S/C17H26ClN/c1-11(2)13-6-7-17(19)15(9-13)10-14-5-4-12(3)8-16(14)18/h4-5,8,11,13,15,17H,6-7,9-10,19H2,1-3H3
InChIKeyXMGKZUJSNONFED-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.59
Rot. Bonds3

About 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 106864992) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID106864992
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(CC2CC(C(C)C)CCC2N)c(Cl)c1
InChIInChI=1S/C17H26ClN/c1-11(2)13-6-7-17(19)15(9-13)10-14-5-4-12(3)8-16(14)18/h4-5,8,11,13,15,17H,6-7,9-10,19H2,1-3H3
InChIKeyXMGKZUJSNONFED-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81012364
[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
CID 106870924
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 106869160
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
CID 106870221
2-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401679
2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401728
2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025447
2-[(2-methyl-3-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62739707
1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025893
2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 104800079

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 106864992) is 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is Cc1ccc(CC2CC(C(C)C)CCC2N)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is XMGKZUJSNONFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-11(2)13-6-7-17(19)15(9-13)10-14-5-4-12(3)8-16(14)18/h4-5,8,11,13,15,17H,6-7,9-10,19H2,1-3H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106864992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).