1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine

C17H21NS — CID 55238363

IUPAC1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccccc2C)cc1
InChIInChI=1S/C17H21NS/c1-3-15(18)12-14-8-10-16(11-9-14)19-17-7-5-4-6-13(17)2/h4-11,15H,3,12,18H2,1-2H3
InChIKeyIEZGZRXIEZTLKF-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.43
Rot. Bonds5

About 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine

1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine (PubChem CID 55238363) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
PubChem CID55238363
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccccc2C)cc1
InChIInChI=1S/C17H21NS/c1-3-15(18)12-14-8-10-16(11-9-14)19-17-7-5-4-6-13(17)2/h4-11,15H,3,12,18H2,1-2H3
InChIKeyIEZGZRXIEZTLKF-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine (CID 55238363) is 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine is CCC(N)Cc1ccc(Sc2ccccc2C)cc1.
What is the InChIKey of 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine?
The InChIKey is IEZGZRXIEZTLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-15(18)12-14-8-10-16(11-9-14)19-17-7-5-4-6-13(17)2/h4-11,15H,3,12,18H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine?
1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine is sourced from PubChem (CID 55238363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).