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

C16H25NS — CID 103675931

IUPACN-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(SC)C2)cc1
InChIInChI=1S/C16H25NS/c1-3-13-7-9-14(10-8-13)12-17-15-5-4-6-16(11-15)18-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyLMXPEJKRZAOUGR-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.01
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 103675931) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID103675931
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(SC)C2)cc1
InChIInChI=1S/C16H25NS/c1-3-13-7-9-14(10-8-13)12-17-15-5-4-6-16(11-15)18-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyLMXPEJKRZAOUGR-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103908817
2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103735291
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine (CID 103675931) is N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine is CCc1ccc(CNC2CCCC(SC)C2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is LMXPEJKRZAOUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-13-7-9-14(10-8-13)12-17-15-5-4-6-16(11-15)18-2/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103675931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).