1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine

C18H23NS — CID 60943980

IUPAC1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
SMILESCSc1ccc(CNC(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H23NS/c1-14-6-4-5-7-17(14)12-15(2)19-13-16-8-10-18(20-3)11-9-16/h4-11,15,19H,12-13H2,1-3H3
InChIKeyIOTWHOWQAWJRQY-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.44
Rot. Bonds6

About 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine

1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine (PubChem CID 60943980) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
PubChem CID60943980
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
SMILESCSc1ccc(CNC(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H23NS/c1-14-6-4-5-7-17(14)12-15(2)19-13-16-8-10-18(20-3)11-9-16/h4-11,15,19H,12-13H2,1-3H3
InChIKeyIOTWHOWQAWJRQY-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
4-[[1-(2-methylphenyl)propan-2-ylamino]methyl]benzonitrile
CID 60943745
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 3126332
(2R)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781284
(2S)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781285
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carboxylic acid
CID 63317201
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
1-N,1-N-dimethyl-3-N-[(4-methylsulfanylphenyl)methyl]butane-1,3-diamine
CID 54963566

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine (CID 60943980) is 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine is CSc1ccc(CNC(C)Cc2ccccc2C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
The InChIKey is IOTWHOWQAWJRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14-6-4-5-7-17(14)12-15(2)19-13-16-8-10-18(20-3)11-9-16/h4-11,15,19H,12-13H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine has a molecular weight of 285.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 60943980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).