N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine

C19H25NS — CID 64619331

IUPACN-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NS/c1-14(2)16-10-12-18(13-11-16)21-15(3)19(20-4)17-8-6-5-7-9-17/h5-15,19-20H,1-4H3
InChIKeyINELUFDLXGNBBY-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.25
Rot. Bonds6

About N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine

N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine (PubChem CID 64619331) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
PubChem CID64619331
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NS/c1-14(2)16-10-12-18(13-11-16)21-15(3)19(20-4)17-8-6-5-7-9-17/h5-15,19-20H,1-4H3
InChIKeyINELUFDLXGNBBY-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
CID 64648663
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 64614845
N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041054
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
The IUPAC name of N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine (CID 64619331) is N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine is CNC(c1ccccc1)C(C)Sc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
The InChIKey is INELUFDLXGNBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-14(2)16-10-12-18(13-11-16)21-15(3)19(20-4)17-8-6-5-7-9-17/h5-15,19-20H,1-4H3.
What are the key properties of N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 64619331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).