N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine

C13H18ClNS — CID 80627512

IUPACN-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1CCCS1
InChIInChI=1S/C13H18ClNS/c1-2-15-13(12-8-5-9-16-12)10-6-3-4-7-11(10)14/h3-4,6-7,12-13,15H,2,5,8-9H2,1H3
InChIKeyCSPURRXTZPSGHA-UHFFFAOYSA-N
MW255.81 g/mol
LogP3.89
Rot. Bonds4

About N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine

N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine (PubChem CID 80627512) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
PubChem CID80627512
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC NameN-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1CCCS1
InChIInChI=1S/C13H18ClNS/c1-2-15-13(12-8-5-9-16-12)10-6-3-4-7-11(10)14/h3-4,6-7,12-13,15H,2,5,8-9H2,1H3
InChIKeyCSPURRXTZPSGHA-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805
N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
CID 107360038
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
N-[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622039
N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
N-[(5-chloro-2-methoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626589
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627227

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine (CID 80627512) is N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine is CCNC(c1ccccc1Cl)C1CCCS1.
What is the InChIKey of N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine?
The InChIKey is CSPURRXTZPSGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-2-15-13(12-8-5-9-16-12)10-6-3-4-7-11(10)14/h3-4,6-7,12-13,15H,2,5,8-9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine?
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine has a molecular weight of 255.81 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80627512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).