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

C17H20BrNS — CID 63807824

IUPACN-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C17H20BrNS/c1-17(2,3)19-12-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)18/h4-11,19H,12H2,1-3H3
InChIKeyLYIKRQJIDDUYLB-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.49
Rot. Bonds4

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

N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63807824) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63807824
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC NameN-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C17H20BrNS/c1-17(2,3)19-12-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)18/h4-11,19H,12H2,1-3H3
InChIKeyLYIKRQJIDDUYLB-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-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 63059393
2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761708
N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 63806322
N-[[3-bromo-2-(2-ethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 82925959
N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63804432
N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807631
N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891006
N-[[4-bromo-2-(2-bromophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63809583
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (CID 63807824) is N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccccc1Sc1ccccc1Br.
What is the InChIKey of N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LYIKRQJIDDUYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-17(2,3)19-12-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)18/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-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-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63807824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).