1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine

C19H25NS — CID 63539409

IUPAC1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Sc1ccc(C)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C19H25NS/c1-5-18(20)19(16-8-6-7-13(2)11-16)21-17-10-9-14(3)15(4)12-17/h6-12,18-19H,5,20H2,1-4H3
InChIKeyUWVKJEFCUNAQJX-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.18
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine

1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine (PubChem CID 63539409) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine
PubChem CID63539409
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Sc1ccc(C)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C19H25NS/c1-5-18(20)19(16-8-6-7-13(2)11-16)21-17-10-9-14(3)15(4)12-17/h6-12,18-19H,5,20H2,1-4H3
InChIKeyUWVKJEFCUNAQJX-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380747
1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 62304287
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
CID 106848621
6-(3,4-dimethylphenyl)sulfanylhexan-3-amine
CID 106808280
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
2-amino-2-(3,4-dimethylphenyl)sulfanylethanol
CID 117034622
1-methyl-3-[(3S)-pent-1-en-3-yl]benzene
CID 177475043
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine (CID 63539409) is 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine is CCC(N)C(Sc1ccc(C)c(C)c1)c1cccc(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine?
The InChIKey is UWVKJEFCUNAQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-5-18(20)19(16-8-6-7-13(2)11-16)21-17-10-9-14(3)15(4)12-17/h6-12,18-19H,5,20H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine?
1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63539409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).