1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine

C16H19NS — CID 55017283

IUPAC1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
SMILESCc1ccc(SC(c2ccccc2)C(C)N)cc1
InChIInChI=1S/C16H19NS/c1-12-8-10-15(11-9-12)18-16(13(2)17)14-6-4-3-5-7-14/h3-11,13,16H,17H2,1-2H3
InChIKeyIFXIBQHCKMYCTH-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine

1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine (PubChem CID 55017283) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
PubChem CID55017283
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
SMILESCc1ccc(SC(c2ccccc2)C(C)N)cc1
InChIInChI=1S/C16H19NS/c1-12-8-10-15(11-9-12)18-16(13(2)17)14-6-4-3-5-7-14/h3-11,13,16H,17H2,1-2H3
InChIKeyIFXIBQHCKMYCTH-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-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
3-[(R)-(4-methylphenyl)sulfanyl-phenylmethyl]pentane-2,4-dione
CID 784681
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
CID 55018702
1-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 55016619
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
CID 63538416
1-phenylethanamine;toluene
CID 143029898
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019158

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine (CID 55017283) is 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine is Cc1ccc(SC(c2ccccc2)C(C)N)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
The InChIKey is IFXIBQHCKMYCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-8-10-15(11-9-12)18-16(13(2)17)14-6-4-3-5-7-14/h3-11,13,16H,17H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine?
1-(4-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-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine is sourced from PubChem (CID 55017283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).