N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine

C15H22ClNS — CID 114122241

IUPACN-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNS/c1-11-6-7-12(8-15(11)16)10-17-13-4-3-5-14(9-13)18-2/h6-8,13-14,17H,3-5,9-10H2,1-2H3
InChIKeyRKSLKSBYKKOIBA-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.41
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine

N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 114122241) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID114122241
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNS/c1-11-6-7-12(8-15(11)16)10-17-13-4-3-5-14(9-13)18-2/h6-8,13-14,17H,3-5,9-10H2,1-2H3
InChIKeyRKSLKSBYKKOIBA-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103908817
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103735291
N-[(4-chloro-3-nitrophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701466
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104854276
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine (CID 114122241) is N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine is CSC1CCCC(NCc2ccc(C)c(Cl)c2)C1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is RKSLKSBYKKOIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-11-6-7-12(8-15(11)16)10-17-13-4-3-5-14(9-13)18-2/h6-8,13-14,17H,3-5,9-10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 283.87 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 114122241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).