2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine

C12H16ClNS — CID 62582805

IUPAC2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
SMILESClc1ccccc1SCCNCC1CC1
InChIInChI=1S/C12H16ClNS/c13-11-3-1-2-4-12(11)15-8-7-14-9-10-5-6-10/h1-4,10,14H,5-9H2
InChIKeyJKEWAVMGXDZDGG-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.43
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine

2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine (PubChem CID 62582805) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
PubChem CID62582805
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
SMILESClc1ccccc1SCCNCC1CC1
InChIInChI=1S/C12H16ClNS/c13-11-3-1-2-4-12(11)15-8-7-14-9-10-5-6-10/h1-4,10,14H,5-9H2
InChIKeyJKEWAVMGXDZDGG-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62583508
N-[2-(2-chlorophenyl)sulfanylethyl]butan-1-amine
CID 62583171
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
CID 61385919
N-[2-(2-chlorophenyl)sulfanylethyl]-4-methylpentan-1-amine
CID 63516114
N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine
CID 91490292
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine
CID 63517410
2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62583170
2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 55092520
N-[2-(2-chlorophenyl)sulfanylethyl]pentan-3-amine
CID 62582624
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine (CID 62582805) is 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine is Clc1ccccc1SCCNCC1CC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine?
The InChIKey is JKEWAVMGXDZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c13-11-3-1-2-4-12(11)15-8-7-14-9-10-5-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine?
2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine has a molecular weight of 241.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 62582805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).