2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine

C18H23NS — CID 64622173

IUPAC2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(SCc1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C18H23NS/c1-14(2)18(17(19)16-11-7-4-8-12-16)20-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13,19H2,1-2H3
InChIKeyAHOWKZUOYOTLTO-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.64
Rot. Bonds6

About 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine

2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine (PubChem CID 64622173) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
PubChem CID64622173
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(SCc1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C18H23NS/c1-14(2)18(17(19)16-11-7-4-8-12-16)20-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13,19H2,1-2H3
InChIKeyAHOWKZUOYOTLTO-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64615135
(1-benzylsulfanyl-2-methylpropyl)benzene
CID 13107886
3-(1-benzylsulfanylethyl)aniline
CID 61263874
2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64628614
4-methylpentan-2-ylsulfanylmethylbenzene
CID 118343527
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
N-(3-aminobutyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
CID 119497245
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617
(1R,2R)-3,3-dimethyl-1-phenylbutane-1,2-diamine;dihydrochloride
CID 53487564
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
N-[benzylsulfanyl(phenyl)methyl]-N-ethylethanamine
CID 10424084
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine (CID 64622173) is 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine is CC(C)C(SCc1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine?
The InChIKey is AHOWKZUOYOTLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14(2)18(17(19)16-11-7-4-8-12-16)20-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13,19H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine?
2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64622173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).