2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine

C13H18ClNS — CID 63115096

IUPAC2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine
SMILESNCC(SC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNS/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9,15H2
InChIKeyIHLJSNQEFPPYHP-UHFFFAOYSA-N
MW255.81 g/mol
LogP4.02
Rot. Bonds4

About 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine

2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine (PubChem CID 63115096) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine
PubChem CID63115096
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC Name2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine
SMILESNCC(SC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNS/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9,15H2
InChIKeyIHLJSNQEFPPYHP-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611
2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
CID 63115195
2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine
CID 55015755
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
3-[2-amino-1-(2-chlorophenyl)ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62883560
(2-chlorophenyl)sulfanylcyclooctane
CID 122214849
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
CID 82931377
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine (CID 63115096) is 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine is NCC(SC1CCCC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine?
The InChIKey is IHLJSNQEFPPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9,15H2.
What are the key properties of 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine?
2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine has a molecular weight of 255.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine is sourced from PubChem (CID 63115096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).