[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine

C14H14BrNS — CID 114884661

IUPAC[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1cccc(Sc2cccc(Br)c2CN)c1
InChIInChI=1S/C14H14BrNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyRARKBHCBNVBBOK-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.37
Rot. Bonds3

About [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine

[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 114884661) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
PubChem CID114884661
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1cccc(Sc2cccc(Br)c2CN)c1
InChIInChI=1S/C14H14BrNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyRARKBHCBNVBBOK-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
[2-bromo-6-(4-tert-butylphenyl)sulfanylphenyl]methanamine
CID 114884650
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
[2-bromo-6-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 114884689
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114884648
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
CID 61245087
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine
CID 64588783
2-(3-methylphenyl)sulfanyl-5-methylsulfonylaniline
CID 61244889
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine (CID 114884661) is [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine is Cc1cccc(Sc2cccc(Br)c2CN)c1.
What is the InChIKey of [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is RARKBHCBNVBBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine?
[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine has a molecular weight of 308.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 114884661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).