N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine

C17H19BrFNS — CID 63809916

IUPACN-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Sc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C17H19BrFNS/c1-12(2)10-20-11-13-3-8-17(16(19)9-13)21-15-6-4-14(18)5-7-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyBJUOANOGLSPERJ-UHFFFAOYSA-N
MW368.32 g/mol
LogP5.49
Rot. Bonds6

About N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63809916) has the molecular formula C17H19BrFNS and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID63809916
Molecular FormulaC17H19BrFNS
Molecular Weight368.32 g/mol
Exact Mass367.04
IUPAC NameN-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Sc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C17H19BrFNS/c1-12(2)10-20-11-13-3-8-17(16(19)9-13)21-15-6-4-14(18)5-7-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyBJUOANOGLSPERJ-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.32
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]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-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]propan-1-amine
CID 63808159
4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657614
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63813564
N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63814069
N-[[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]methyl]propan-1-amine
CID 63808636
N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63808350
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenyl]sulfanylpropane-1,2-diol
CID 79671989
N-[[3-fluoro-4-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805045
N-[[4-(4-bromophenyl)sulfanyl-3,5-difluorophenyl]methyl]propan-2-amine
CID 63808869

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 63809916) is N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Sc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BJUOANOGLSPERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNS/c1-12(2)10-20-11-13-3-8-17(16(19)9-13)21-15-6-4-14(18)5-7-15/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 368.32 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63809916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).