N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine

C17H20BrNS — CID 63808350

IUPACN-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Sc2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNS/c1-13(2)11-19-12-14-7-9-15(10-8-14)20-17-6-4-3-5-16(17)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyHRJMSIFQGSBNLF-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.35
Rot. Bonds6

About N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine

N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63808350) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63808350
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC NameN-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Sc2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNS/c1-13(2)11-19-12-14-7-9-15(10-8-14)20-17-6-4-3-5-16(17)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyHRJMSIFQGSBNLF-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-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-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805959
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
2-methyl-N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107783303
N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63809916
N-[[2-(2-bromophenyl)sulfanyl-4-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114864301
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63804403
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2-methyl-N-[[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63805933

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine (CID 63808350) is N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Sc2ccccc2Br)cc1.
What is the InChIKey of N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HRJMSIFQGSBNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-13(2)11-19-12-14-7-9-15(10-8-14)20-17-6-4-3-5-16(17)18/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 350.33 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63808350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).