1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine

C19H25NS — CID 66087790

IUPAC1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(C)c1)Cc1ccccc1
InChIInChI=1S/C19H25NS/c1-3-12-20-18(14-17-9-5-4-6-10-17)15-21-19-11-7-8-16(2)13-19/h4-11,13,18,20H,3,12,14-15H2,1-2H3
InChIKeyDLXUUVFKMPRSAX-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.70
Rot. Bonds8

About 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine

1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine (PubChem CID 66087790) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
PubChem CID66087790
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(C)c1)Cc1ccccc1
InChIInChI=1S/C19H25NS/c1-3-12-20-18(14-17-9-5-4-6-10-17)15-21-19-11-7-8-16(2)13-19/h4-11,13,18,20H,3,12,14-15H2,1-2H3
InChIKeyDLXUUVFKMPRSAX-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086433
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
N-[2-(3-methylphenyl)sulfanylethyl]pentan-3-amine
CID 62580669
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine (CID 66087790) is 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine is CCCNC(CSc1cccc(C)c1)Cc1ccccc1.
What is the InChIKey of 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
The InChIKey is DLXUUVFKMPRSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-12-20-18(14-17-9-5-4-6-10-17)15-21-19-11-7-8-16(2)13-19/h4-11,13,18,20H,3,12,14-15H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 66087790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).