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

C14H21NS — CID 80622267

IUPACN-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1CCCS1
InChIInChI=1S/C14H21NS/c1-3-15-14(13-9-6-10-16-13)12-8-5-4-7-11(12)2/h4-5,7-8,13-15H,3,6,9-10H2,1-2H3
InChIKeyHFSDZUUPXSKCJH-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.54
Rot. Bonds4

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

N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine (PubChem CID 80622267) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
PubChem CID80622267
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1CCCS1
InChIInChI=1S/C14H21NS/c1-3-15-14(13-9-6-10-16-13)12-8-5-4-7-11(12)2/h4-5,7-8,13-15H,3,6,9-10H2,1-2H3
InChIKeyHFSDZUUPXSKCJH-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622039
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
N-[(4-fluoro-3-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622510
N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627227
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
CID 80626981
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine (CID 80622267) is N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine is CCNC(c1ccccc1C)C1CCCS1.
What is the InChIKey of N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine?
The InChIKey is HFSDZUUPXSKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-3-15-14(13-9-6-10-16-13)12-8-5-4-7-11(12)2/h4-5,7-8,13-15H,3,6,9-10H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine?
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80622267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).