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

C16H25NS — CID 64716737

IUPAC3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ccc(C)cc2C)C1
InChIInChI=1S/C16H25NS/c1-4-17-14-6-5-7-15(11-14)18-16-9-8-12(2)10-13(16)3/h8-10,14-15,17H,4-7,11H2,1-3H3
InChIKeyMNNBMXAVQGFHKV-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.32
Rot. Bonds4

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

3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine (PubChem CID 64716737) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
PubChem CID64716737
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ccc(C)cc2C)C1
InChIInChI=1S/C16H25NS/c1-4-17-14-6-5-7-15(11-14)18-16-9-8-12(2)10-13(16)3/h8-10,14-15,17H,4-7,11H2,1-3H3
InChIKeyMNNBMXAVQGFHKV-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

3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101
N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine
CID 64718248
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
4-(2,4-dimethylphenyl)sulfanylcyclohexan-1-one
CID 117034491
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64717791
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
CID 79332992
N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
CID 64716116

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine (CID 64716737) is 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine is CCNC1CCCC(Sc2ccc(C)cc2C)C1.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The InChIKey is MNNBMXAVQGFHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-17-14-6-5-7-15(11-14)18-16-9-8-12(2)10-13(16)3/h8-10,14-15,17H,4-7,11H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine?
3-(2,4-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 3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64716737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).