(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine

C14H21NOS — CID 103435508

IUPAC(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine
SMILESCOc1c(C(N)C2CCSC2)ccc(C)c1C
InChIInChI=1S/C14H21NOS/c1-9-4-5-12(14(16-3)10(9)2)13(15)11-6-7-17-8-11/h4-5,11,13H,6-8,15H2,1-3H3
InChIKeyAMECGBUBTGAQSI-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.06
Rot. Bonds3

About (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine

(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine (PubChem CID 103435508) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine
PubChem CID103435508
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine
SMILESCOc1c(C(N)C2CCSC2)ccc(C)c1C
InChIInChI=1S/C14H21NOS/c1-9-4-5-12(14(16-3)10(9)2)13(15)11-6-7-17-8-11/h4-5,11,13H,6-8,15H2,1-3H3
InChIKeyAMECGBUBTGAQSI-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 103435388
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674
(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433606
2,3-dihydro-1H-inden-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433624
(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 103435403
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433840
[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435988
[(3-ethylcyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435992
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
CID 105397355

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine (CID 103435508) is (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine is COc1c(C(N)C2CCSC2)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine?
The InChIKey is AMECGBUBTGAQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-9-4-5-12(14(16-3)10(9)2)13(15)11-6-7-17-8-11/h4-5,11,13H,6-8,15H2,1-3H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine?
(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine has a molecular weight of 251.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine is sourced from PubChem (CID 103435508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).