1-(4-benzylsulfanylphenyl)propan-2-amine

C16H19NS — CID 46882993

IUPAC1-(4-benzylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H19NS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3
InChIKeyTXLRFCSLKMDOTM-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-benzylsulfanylphenyl)propan-2-amine

1-(4-benzylsulfanylphenyl)propan-2-amine (PubChem CID 46882993) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(4-benzylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-benzylsulfanylphenyl)propan-2-amine
PubChem CID46882993
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-(4-benzylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H19NS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3
InChIKeyTXLRFCSLKMDOTM-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzylsulfanylphenyl)propan-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

CID 151900
CID 151900
CID 21978439
CID 21978439
CID 43565977
CID 43565977
CID 46882957
CID 46882957
CID 11849796
CID 11849796
CID 23661626
CID 23661626
CID 44399737
CID 44399737
CID 44414681
CID 44414681
CID 44424446
CID 44424446
CID 44424447
CID 44424447
CID 44424448
CID 44424448
CID 44613067
CID 44613067

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(4-benzylsulfanylphenyl)propan-2-amine (CID 46882993) is 1-(4-benzylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-benzylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-benzylsulfanylphenyl)propan-2-amine is CC(N)Cc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylsulfanylphenyl)propan-2-amine?
The InChIKey is TXLRFCSLKMDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3.
What are the key properties of 1-(4-benzylsulfanylphenyl)propan-2-amine?
1-(4-benzylsulfanylphenyl)propan-2-amine has a molecular weight of 257.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 46882993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).