1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine

C16H19NS — CID 55020378

IUPAC1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
SMILESCc1cccc(C(Sc2ccccc2)C(C)N)c1
InChIInChI=1S/C16H19NS/c1-12-7-6-8-14(11-12)16(13(2)17)18-15-9-4-3-5-10-15/h3-11,13,16H,17H2,1-2H3
InChIKeyLEPNVGYOHBTKGP-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.18
Rot. Bonds4

About 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine

1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine (PubChem CID 55020378) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
PubChem CID55020378
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
SMILESCc1cccc(C(Sc2ccccc2)C(C)N)c1
InChIInChI=1S/C16H19NS/c1-12-7-6-8-14(11-12)16(13(2)17)18-15-9-4-3-5-10-15/h3-11,13,16H,17H2,1-2H3
InChIKeyLEPNVGYOHBTKGP-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)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
CID 55232465
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine
CID 106922262
1-(3-methylphenyl)-1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 55020772
1-(3-methylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 62849104
1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
2-(3-methylphenyl)-2-phenylsulfanylacetate
CID 57374541
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(3-methylphenyl)sulfanylethanamine
CID 117032496

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine (CID 55020378) is 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine is Cc1cccc(C(Sc2ccccc2)C(C)N)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine?
The InChIKey is LEPNVGYOHBTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-7-6-8-14(11-12)16(13(2)17)18-15-9-4-3-5-10-15/h3-11,13,16H,17H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine?
1-(3-methylphenyl)-1-phenylsulfanylpropan-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)-1-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 55020378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).