1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine

C14H21NS — CID 105140321

IUPAC1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCSC1
InChIInChI=1S/C14H21NS/c1-10-4-5-12(8-11(10)2)14(15-3)13-6-7-16-9-13/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyTUMHBJPHQHLKKB-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.32
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine

1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine (PubChem CID 105140321) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
PubChem CID105140321
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCSC1
InChIInChI=1S/C14H21NS/c1-10-4-5-12(8-11(10)2)14(15-3)13-6-7-16-9-13/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyTUMHBJPHQHLKKB-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
CID 105172644
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140814
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(thiolan-3-yl)methanamine
CID 102757902
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 103345907
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105167402
1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105149389
1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105143702

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine (CID 105140321) is 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine is CNC(c1ccc(C)c(C)c1)C1CCSC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The InChIKey is TUMHBJPHQHLKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-4-5-12(8-11(10)2)14(15-3)13-6-7-16-9-13/h4-5,8,13-15H,6-7,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine has a molecular weight of 235.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105140321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).