(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine

C13H19NS — CID 105140674

IUPAC(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
SMILESCc1cccc(C(N)C2CCSC2)c1C
InChIInChI=1S/C13H19NS/c1-9-4-3-5-12(10(9)2)13(14)11-6-7-15-8-11/h3-5,11,13H,6-8,14H2,1-2H3
InChIKeyPRZLYIOSNKSJOR-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.06
Rot. Bonds2

About (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine

(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine (PubChem CID 105140674) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
PubChem CID105140674
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
SMILESCc1cccc(C(N)C2CCSC2)c1C
InChIInChI=1S/C13H19NS/c1-9-4-3-5-12(10(9)2)13(14)11-6-7-15-8-11/h3-5,11,13H,6-8,14H2,1-2H3
InChIKeyPRZLYIOSNKSJOR-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 103435508
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
CID 104988996
2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine
CID 83822698
2-[amino(thiolan-3-yl)methyl]benzoic acid
CID 105499476
(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284
2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
CID 105140626
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine?
The IUPAC name of (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine (CID 105140674) is (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine?
The canonical SMILES for (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine is Cc1cccc(C(N)C2CCSC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine?
The InChIKey is PRZLYIOSNKSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9-4-3-5-12(10(9)2)13(14)11-6-7-15-8-11/h3-5,11,13H,6-8,14H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine?
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine has a molecular weight of 221.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105140674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).