N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine

C17H19Br2NS — CID 82956925

IUPACN-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1Sc1cccc(Br)c1
InChIInChI=1S/C17H19Br2NS/c1-3-9-20-12(2)16-11-14(19)7-8-17(16)21-15-6-4-5-13(18)10-15/h4-8,10-12,20H,3,9H2,1-2H3
InChIKeyICQLLUHRLPQMAA-UHFFFAOYSA-N
MW429.22 g/mol
LogP6.42
Rot. Bonds6

About N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine

N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine (PubChem CID 82956925) has the molecular formula C17H19Br2NS and a molecular weight of 429.22 g/mol. Its IUPAC name is N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
PubChem CID82956925
Molecular FormulaC17H19Br2NS
Molecular Weight429.22 g/mol
Exact Mass426.96
IUPAC NameN-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1Sc1cccc(Br)c1
InChIInChI=1S/C17H19Br2NS/c1-3-9-20-12(2)16-11-14(19)7-8-17(16)21-15-6-4-5-13(18)10-15/h4-8,10-12,20H,3,9H2,1-2H3
InChIKeyICQLLUHRLPQMAA-UHFFFAOYSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.22
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-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

N-[1-[5-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 107750763
3-[4-bromo-2-[1-(propylamino)ethyl]phenyl]sulfanylpropan-1-ol
CID 82970081
N-[1-[5-bromo-2-(1-methylimidazol-2-yl)sulfanylphenyl]ethyl]propan-1-amine
CID 82976192
N-[1-[5-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethyl]propan-1-amine
CID 104603323
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
1-[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]-N-ethylethanamine
CID 82954533
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine
CID 82969698
N-[1-(4-bromo-2-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 82970060
2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine
CID 64633184
4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine
CID 64704073
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine (CID 82956925) is N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(Br)ccc1Sc1cccc(Br)c1.
What is the InChIKey of N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine?
The InChIKey is ICQLLUHRLPQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NS/c1-3-9-20-12(2)16-11-14(19)7-8-17(16)21-15-6-4-5-13(18)10-15/h4-8,10-12,20H,3,9H2,1-2H3.
What are the key properties of N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine?
N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine has a molecular weight of 429.22 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82956925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).