1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

C14H21NS — CID 107266984

IUPAC1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(C)c2)CCC1
InChIInChI=1S/C14H21NS/c1-12-5-3-6-13(9-12)10-15-11-14(16-2)7-4-8-14/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3
InChIKeyTZKCWSNYZHVTCL-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.37
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (PubChem CID 107266984) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
PubChem CID107266984
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(C)c2)CCC1
InChIInChI=1S/C14H21NS/c1-12-5-3-6-13(9-12)10-15-11-14(16-2)7-4-8-14/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3
InChIKeyTZKCWSNYZHVTCL-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 114115671
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine
CID 107269735
1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
1-[4-(methoxymethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267089
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103992171
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
CID 114116374

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (CID 107266984) is 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is CSC1(CNCc2cccc(C)c2)CCC1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The InChIKey is TZKCWSNYZHVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12-5-3-6-13(9-12)10-15-11-14(16-2)7-4-8-14/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine has a molecular weight of 235.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 107266984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).