2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine

C14H22ClNS — CID 66146188

IUPAC2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)Sc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNS/c1-3-8-14(11-16,9-4-2)17-13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11,16H2,1-2H3
InChIKeyNHMNHKDLMFNHDH-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.73
Rot. Bonds7

About 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine

2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine (PubChem CID 66146188) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine
PubChem CID66146188
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)Sc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNS/c1-3-8-14(11-16,9-4-2)17-13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11,16H2,1-2H3
InChIKeyNHMNHKDLMFNHDH-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine 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-(3-chlorophenyl)sulfanylpropan-2-amine
CID 117032547
2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66072600
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
butane;1,3-dichlorobenzene
CID 174455068
3-(3-chlorophenyl)sulfanylpentan-1-amine
CID 62645784
2-(2-fluorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66096789
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-(3-chlorophenyl)sulfanyl-3-methylhexan-2-amine
CID 107896590
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
CID 57326677
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine (CID 66146188) is 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine is CCCC(CN)(CCC)Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine?
The InChIKey is NHMNHKDLMFNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-3-8-14(11-16,9-4-2)17-13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine?
2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine has a molecular weight of 271.86 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine is sourced from PubChem (CID 66146188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).