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

C17H27NS — CID 64647989

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Sc1ccc(C)c(C)c1
InChIInChI=1S/C17H27NS/c1-4-11-18-16-7-5-6-8-17(16)19-15-10-9-13(2)14(3)12-15/h9-10,12,16-18H,4-8,11H2,1-3H3
InChIKeyRZLLCEOXOHYLTJ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.71
Rot. Bonds5

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

2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64647989) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
PubChem CID64647989
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Sc1ccc(C)c(C)c1
InChIInChI=1S/C17H27NS/c1-4-11-18-16-7-5-6-8-17(16)19-15-10-9-13(2)14(3)12-15/h9-10,12,16-18H,4-8,11H2,1-3H3
InChIKeyRZLLCEOXOHYLTJ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566
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-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64626801

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine (CID 64647989) is 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Sc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is RZLLCEOXOHYLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-4-11-18-16-7-5-6-8-17(16)19-15-10-9-13(2)14(3)12-15/h9-10,12,16-18H,4-8,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.71, 5 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-propylcyclohexan-1-amine is sourced from PubChem (CID 64647989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).