[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine

C15H23NS — CID 116544898

IUPAC[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCCS2)c1
InChIInChI=1S/C15H23NS/c1-11(2)9-12-5-3-6-13(10-12)15(16)14-7-4-8-17-14/h3,5-6,10-11,14-15H,4,7-9,16H2,1-2H3
InChIKeyUVMLXFRAPXROHB-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.78
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine

[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine (PubChem CID 116544898) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
PubChem CID116544898
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCCS2)c1
InChIInChI=1S/C15H23NS/c1-11(2)9-12-5-3-6-13(10-12)15(16)14-7-4-8-17-14/h3,5-6,10-11,14-15H,4,7-9,16H2,1-2H3
InChIKeyUVMLXFRAPXROHB-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
CID 105255948
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
naphthalen-2-yl(thiolan-2-yl)methanamine
CID 80623183
N-[1,4-dithian-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544805
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544706
(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine
CID 81224264
(3-ethylphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299524

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine (CID 116544898) is [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine is CC(C)Cc1cccc(C(N)C2CCCS2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine?
The InChIKey is UVMLXFRAPXROHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(2)9-12-5-3-6-13(10-12)15(16)14-7-4-8-17-14/h3,5-6,10-11,14-15H,4,7-9,16H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine?
[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine has a molecular weight of 249.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine is sourced from PubChem (CID 116544898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).