1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine

C13H20ClNS — CID 103291082

IUPAC1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine
SMILESCCCC(CSCc1ccccc1Cl)NC
InChIInChI=1S/C13H20ClNS/c1-3-6-12(15-2)10-16-9-11-7-4-5-8-13(11)14/h4-5,7-8,12,15H,3,6,9-10H2,1-2H3
InChIKeyGNKREJYWYLOJCK-UHFFFAOYSA-N
MW257.83 g/mol
LogP3.96
Rot. Bonds7

About 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine

1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine (PubChem CID 103291082) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine
PubChem CID103291082
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine
SMILESCCCC(CSCc1ccccc1Cl)NC
InChIInChI=1S/C13H20ClNS/c1-3-6-12(15-2)10-16-9-11-7-4-5-8-13(11)14/h4-5,7-8,12,15H,3,6,9-10H2,1-2H3
InChIKeyGNKREJYWYLOJCK-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
1-[2-(bromomethyl)pentylsulfanylmethyl]-2-chlorobenzene
CID 103288085
1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511567
N-[2-[(2-chlorophenyl)methylsulfanyl]-1-phenylethyl]propan-1-amine
CID 103291043
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948
ethyl 3-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)propanoate
CID 103289594
1-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]-2-chlorobenzene
CID 103288088
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
CID 103288623

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine (CID 103291082) is 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine is CCCC(CSCc1ccccc1Cl)NC.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine?
The InChIKey is GNKREJYWYLOJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-3-6-12(15-2)10-16-9-11-7-4-5-8-13(11)14/h4-5,7-8,12,15H,3,6,9-10H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine?
1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine has a molecular weight of 257.83 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine is sourced from PubChem (CID 103291082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).