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

C17H19Br2NS — CID 63807631

IUPACN-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Br)cc1Sc1ccc(Br)cc1
InChIInChI=1S/C17H19Br2NS/c1-17(2,3)20-11-12-4-5-14(19)10-16(12)21-15-8-6-13(18)7-9-15/h4-10,20H,11H2,1-3H3
InChIKeyFVHDUYHWBZTREZ-UHFFFAOYSA-N
MW429.22 g/mol
LogP6.25
Rot. Bonds4

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

N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63807631) has the molecular formula C17H19Br2NS and a molecular weight of 429.22 g/mol. Its IUPAC name is N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63807631
Molecular FormulaC17H19Br2NS
Molecular Weight429.22 g/mol
Exact Mass426.96
IUPAC NameN-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Br)cc1Sc1ccc(Br)cc1
InChIInChI=1S/C17H19Br2NS/c1-17(2,3)20-11-12-4-5-14(19)10-16(12)21-15-8-6-13(18)7-9-15/h4-10,20H,11H2,1-3H3
InChIKeyFVHDUYHWBZTREZ-UHFFFAOYSA-N
XLogP6.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.22
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 63806322
N-[(4-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 55240564
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
N-[(5-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 114062029
N-[[4-bromo-2-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63805089
N-[[4-bromo-2-(4-nitrophenyl)sulfanylphenyl]methyl]ethanamine
CID 63807291
N-[[2-(azepan-1-yl)-4-bromophenyl]methyl]-2-methylpropan-2-amine
CID 63566560
1-[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 63809493
N-[[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 63807555
[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
CID 63812767
N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807824

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (CID 63807631) is N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Br)cc1Sc1ccc(Br)cc1.
What is the InChIKey of N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FVHDUYHWBZTREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NS/c1-17(2,3)20-11-12-4-5-14(19)10-16(12)21-15-8-6-13(18)7-9-15/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 429.22 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63807631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).