1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine

C13H18ClNS — CID 107266180

IUPAC1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
SMILESCSC1(CNC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClNS/c1-10(11-4-3-5-12(14)8-11)15-9-13(16-2)6-7-13/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyGXGSIABBLWKDOR-UHFFFAOYSA-N
MW255.81 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine (PubChem CID 107266180) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
PubChem CID107266180
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC Name1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
SMILESCSC1(CNC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClNS/c1-10(11-4-3-5-12(14)8-11)15-9-13(16-2)6-7-13/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyGXGSIABBLWKDOR-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 114223881
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
N-[(1R)-1-(3-chlorophenyl)ethyl]but-2-yn-1-amine
CID 81372663
(1S)-1-(3-chlorophenyl)-N-(2-ethylsulfanylethyl)ethanamine
CID 104863374
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-(4-methyl-3-nitrophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270051
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine (CID 107266180) is 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine is CSC1(CNC(C)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The InChIKey is GXGSIABBLWKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-10(11-4-3-5-12(14)8-11)15-9-13(16-2)6-7-13/h3-5,8,10,15H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine has a molecular weight of 255.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 107266180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).