1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine

C19H25NS — CID 132598952

IUPAC1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine
SMILESCCC(C(SCc1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C19H25NS/c1-4-18(20(2)3)19(17-13-9-6-10-14-17)21-15-16-11-7-5-8-12-16/h5-14,18-19H,4,15H2,1-3H3
InChIKeyCUYULCXSUHOIQD-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.00
Rot. Bonds7

About 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine

1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine (PubChem CID 132598952) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine.

Molecular Properties

Compound Name1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine
PubChem CID132598952
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine
SMILESCCC(C(SCc1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C19H25NS/c1-4-18(20(2)3)19(17-13-9-6-10-14-17)21-15-16-11-7-5-8-12-16/h5-14,18-19H,4,15H2,1-3H3
InChIKeyCUYULCXSUHOIQD-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzylsulfanyl-2-methylpropyl)benzene
CID 13107886
N-[benzylsulfanyl(phenyl)methyl]-N-ethylethanamine
CID 10424084
N-[(1R,2R)-2-benzylsulfanyl-1,2-diphenylethyl]aniline
CID 102472585
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
(2S)-2-benzylsulfanylbutanal
CID 102216800
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
3-(1-benzylsulfanylethyl)aniline
CID 61263874
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene
CID 19795291
N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide
CID 119581950
methyl 3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-3-phenylpropanoate
CID 122634776
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
CID 65487407

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
The IUPAC name of 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine (CID 132598952) is 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine.
What is the SMILES notation for 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
The canonical SMILES for 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine is CCC(C(SCc1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
The InChIKey is CUYULCXSUHOIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-18(20(2)3)19(17-13-9-6-10-14-17)21-15-16-11-7-5-8-12-16/h5-14,18-19H,4,15H2,1-3H3.
What are the key properties of 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine is sourced from PubChem (CID 132598952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).