2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine

C17H20BrNS — CID 64634165

IUPAC2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1cccc(Br)c1
InChIInChI=1S/C17H20BrNS/c1-3-19-17(14-8-5-4-6-9-14)13(2)20-16-11-7-10-15(18)12-16/h4-13,17,19H,3H2,1-2H3
InChIKeyBUJGTJPFMVIIOU-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.28
Rot. Bonds6

About 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine

2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine (PubChem CID 64634165) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
PubChem CID64634165
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1cccc(Br)c1
InChIInChI=1S/C17H20BrNS/c1-3-19-17(14-8-5-4-6-9-14)13(2)20-16-11-7-10-15(18)12-16/h4-13,17,19H,3H2,1-2H3
InChIKeyBUJGTJPFMVIIOU-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-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

2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64632583
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
CID 64648445
2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine
CID 64633184
2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
CID 64657598
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
3-(3-bromophenyl)sulfanyl-2-methylbutanoic acid
CID 79391052
N-[2-(3-bromophenyl)sulfanylpropyl]pentan-3-amine
CID 63516309
bromobenzene;1-bromo-3-butylsulfanylbenzene
CID 158800951

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine (CID 64634165) is 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is BUJGTJPFMVIIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-3-19-17(14-8-5-4-6-9-14)13(2)20-16-11-7-10-15(18)12-16/h4-13,17,19H,3H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 350.33 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64634165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).