2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine

C16H25NS — CID 64648048

IUPAC2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Sc2cc(C)ccc2C)C1
InChIInChI=1S/C16H25NS/c1-4-13-7-8-14(17)16(10-13)18-15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10,17H2,1-3H3
InChIKeyGHICDCKRFMMZJP-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.30
Rot. Bonds3

About 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine

2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine (PubChem CID 64648048) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine
PubChem CID64648048
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Sc2cc(C)ccc2C)C1
InChIInChI=1S/C16H25NS/c1-4-13-7-8-14(17)16(10-13)18-15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10,17H2,1-3H3
InChIKeyGHICDCKRFMMZJP-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 81014170
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64613900
2-(3-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64634756
3-(2-ethylcyclohexyl)sulfanyl-4-methylaniline
CID 79141261
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
CID 64856159
2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
CID 64649807
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
CID 64736369
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 63404568

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine (CID 64648048) is 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(Sc2cc(C)ccc2C)C1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine?
The InChIKey is GHICDCKRFMMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-13-7-8-14(17)16(10-13)18-15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10,17H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine?
2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 64648048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).