1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine

C16H19NS — CID 55017009

IUPAC1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
SMILESCc1cccc(SC(c2ccccc2)C(C)N)c1
InChIInChI=1S/C16H19NS/c1-12-7-6-10-15(11-12)18-16(13(2)17)14-8-4-3-5-9-14/h3-11,13,16H,17H2,1-2H3
InChIKeyHRTFNPOLPSJTQX-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.18
Rot. Bonds4

About 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine

1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine (PubChem CID 55017009) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
PubChem CID55017009
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
SMILESCc1cccc(SC(c2ccccc2)C(C)N)c1
InChIInChI=1S/C16H19NS/c1-12-7-6-10-15(11-12)18-16(13(2)17)14-8-4-3-5-9-14/h3-11,13,16H,17H2,1-2H3
InChIKeyHRTFNPOLPSJTQX-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
2-(3-methylphenyl)sulfanyl-2-phenylacetonitrile
CID 3760922
3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617
1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
1-(3-methylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 62849104
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
CID 55232465

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
The IUPAC name of 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine (CID 55017009) is 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine is Cc1cccc(SC(c2ccccc2)C(C)N)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
The InChIKey is HRTFNPOLPSJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-7-6-10-15(11-12)18-16(13(2)17)14-8-4-3-5-9-14/h3-11,13,16H,17H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine has a molecular weight of 257.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine is sourced from PubChem (CID 55017009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).