1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine

C18H23NS — CID 64620441

IUPAC1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
SMILESCCc1ccc(C(N)C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NS/c1-4-15-7-9-16(10-8-15)18(19)14(3)20-17-11-5-13(2)6-12-17/h5-12,14,18H,4,19H2,1-3H3
InChIKeyQWHNSGZLPFFRDP-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.74
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine

1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine (PubChem CID 64620441) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
PubChem CID64620441
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
SMILESCCc1ccc(C(N)C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NS/c1-4-15-7-9-16(10-8-15)18(19)14(3)20-17-11-5-13(2)6-12-17/h5-12,14,18H,4,19H2,1-3H3
InChIKeyQWHNSGZLPFFRDP-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine 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

1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64610288
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64633110
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64648296
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
CID 142590749
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine (CID 64620441) is 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine is CCc1ccc(C(N)C(C)Sc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine?
The InChIKey is QWHNSGZLPFFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-4-15-7-9-16(10-8-15)18(19)14(3)20-17-11-5-13(2)6-12-17/h5-12,14,18H,4,19H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine?
1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 64620441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).