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

C17H20BrNS — CID 63809395

IUPACN-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNS/c1-17(2,3)19-12-13-6-4-5-7-16(13)20-15-10-8-14(18)9-11-15/h4-11,19H,12H2,1-3H3
InChIKeyAKZITPHEHDZWTN-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.49
Rot. Bonds4

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

N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63809395) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63809395
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC NameN-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNS/c1-17(2,3)19-12-13-6-4-5-7-16(13)20-15-10-8-14(18)9-11-15/h4-11,19H,12H2,1-3H3
InChIKeyAKZITPHEHDZWTN-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807631
N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807824
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 63806322
2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761708
1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
CID 143619217
2,6-dibromo-4-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol
CID 69012309
tert-butyl 2-[2-[(tert-butylamino)methyl]phenyl]sulfanylacetate
CID 116687821
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704
N-[(4-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 55240564

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (CID 63809395) is N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccccc1Sc1ccc(Br)cc1.
What is the InChIKey of N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AKZITPHEHDZWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-17(2,3)19-12-13-6-4-5-7-16(13)20-15-10-8-14(18)9-11-15/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 350.33 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63809395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).