1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine

C15H24BrNS — CID 65128704

IUPAC1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
SMILESCCCNC(CSCCC)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrNS/c1-3-8-17-15(12-18-9-4-2)11-13-6-5-7-14(16)10-13/h5-7,10,15,17H,3-4,8-9,11-12H2,1-2H3
InChIKeyTXRHHISDQWBJGX-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.50
Rot. Bonds9

About 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine

1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine (PubChem CID 65128704) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
PubChem CID65128704
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
SMILESCCCNC(CSCCC)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrNS/c1-3-8-17-15(12-18-9-4-2)11-13-6-5-7-14(16)10-13/h5-7,10,15,17H,3-4,8-9,11-12H2,1-2H3
InChIKeyTXRHHISDQWBJGX-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-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-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
1-(3-bromo-4-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65129164
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128761
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66047440
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128510
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214582
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine (CID 65128704) is 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine is CCCNC(CSCCC)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
The InChIKey is TXRHHISDQWBJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-3-8-17-15(12-18-9-4-2)11-13-6-5-7-14(16)10-13/h5-7,10,15,17H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine?
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine has a molecular weight of 330.34 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).