2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine

C16H25NS — CID 64649741

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(C)c(C)c1
InChIInChI=1S/C16H25NS/c1-4-17-15-7-5-6-8-16(15)18-14-10-9-12(2)13(3)11-14/h9-11,15-17H,4-8H2,1-3H3
InChIKeyRYYAIUZPBXOHRN-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.32
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine

2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine (PubChem CID 64649741) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
PubChem CID64649741
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(C)c(C)c1
InChIInChI=1S/C16H25NS/c1-4-17-15-7-5-6-8-16(15)18-14-10-9-12(2)13(3)11-14/h9-11,15-17H,4-8H2,1-3H3
InChIKeyRYYAIUZPBXOHRN-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
CID 64649807
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethylcycloheptan-1-amine
CID 115479369
2-(3,4-dimethylphenyl)sulfanylcycloheptane-1-carbonitrile
CID 43293143
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
2-(3-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64632982
2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64614748
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 102926543
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine (CID 64649741) is 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine is CCNC1CCCCC1Sc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The InChIKey is RYYAIUZPBXOHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-17-15-7-5-6-8-16(15)18-14-10-9-12(2)13(3)11-14/h9-11,15-17H,4-8H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64649741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).