1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine

C12H16ClNS — CID 80621667

IUPAC1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1CCCS1
InChIInChI=1S/C12H16ClNS/c1-14-12(11-7-4-8-15-11)9-5-2-3-6-10(9)13/h2-3,5-6,11-12,14H,4,7-8H2,1H3
InChIKeyKNWYRGASGJSWLH-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine

1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine (PubChem CID 80621667) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
PubChem CID80621667
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1CCCS1
InChIInChI=1S/C12H16ClNS/c1-14-12(11-7-4-8-15-11)9-5-2-3-6-10(9)13/h2-3,5-6,11-12,14H,4,7-8H2,1H3
InChIKeyKNWYRGASGJSWLH-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
1-isoquinolin-4-yl-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621787
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
CID 80622128
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
CID 80623174
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
1-(2-chlorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 115801368
1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681183
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 114730301

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine (CID 80621667) is 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine is CNC(c1ccccc1Cl)C1CCCS1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine?
The InChIKey is KNWYRGASGJSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-14-12(11-7-4-8-15-11)9-5-2-3-6-10(9)13/h2-3,5-6,11-12,14H,4,7-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine?
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine has a molecular weight of 241.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80621667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).