1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine

C13H19NOS — CID 64626316

IUPAC1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1OC)C1CC1
InChIInChI=1S/C13H19NOS/c1-14-11(10-7-8-10)9-16-13-6-4-3-5-12(13)15-2/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyCIPFCQRDZHPQCR-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.79
Rot. Bonds6

About 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine

1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine (PubChem CID 64626316) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
PubChem CID64626316
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1OC)C1CC1
InChIInChI=1S/C13H19NOS/c1-14-11(10-7-8-10)9-16-13-6-4-3-5-12(13)15-2/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyCIPFCQRDZHPQCR-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 66051356
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66098636
2-(2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414979
1-(3-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627923
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
1-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471
N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
CID 64627121
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine (CID 64626316) is 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine is CNC(CSc1ccccc1OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
The InChIKey is CIPFCQRDZHPQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14-11(10-7-8-10)9-16-13-6-4-3-5-12(13)15-2/h3-6,10-11,14H,7-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 64626316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).