1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine

C15H23NS — CID 107270109

IUPAC1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
SMILESCSC1(CNC(C)c2ccc(C)cc2C)CC1
InChIInChI=1S/C15H23NS/c1-11-5-6-14(12(2)9-11)13(3)16-10-15(17-4)7-8-15/h5-6,9,13,16H,7-8,10H2,1-4H3
InChIKeyXVLLEJVOCSENRA-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.85
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine (PubChem CID 107270109) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
PubChem CID107270109
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
SMILESCSC1(CNC(C)c2ccc(C)cc2C)CC1
InChIInChI=1S/C15H23NS/c1-11-5-6-14(12(2)9-11)13(3)16-10-15(17-4)7-8-15/h5-6,9,13,16H,7-8,10H2,1-4H3
InChIKeyXVLLEJVOCSENRA-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
CID 107270122
1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 114114845
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270073
1-(2,3-difluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107269897
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine (CID 107270109) is 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine is CSC1(CNC(C)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The InChIKey is XVLLEJVOCSENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11-5-6-14(12(2)9-11)13(3)16-10-15(17-4)7-8-15/h5-6,9,13,16H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 107270109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).