[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine

C12H11Br2NOS — CID 63045122

IUPAC[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cc(Br)cs2)c(Br)c1
InChIInChI=1S/C12H11Br2NOS/c13-9-4-10(17-7-9)6-16-12-2-1-8(5-15)3-11(12)14/h1-4,7H,5-6,15H2
InChIKeyJXRBTIWHPILRQB-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.31
Rot. Bonds4

About [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine

[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine (PubChem CID 63045122) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine
PubChem CID63045122
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC Name[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cc(Br)cs2)c(Br)c1
InChIInChI=1S/C12H11Br2NOS/c13-9-4-10(17-7-9)6-16-12-2-1-8(5-15)3-11(12)14/h1-4,7H,5-6,15H2
InChIKeyJXRBTIWHPILRQB-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422163
N-[[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63062514
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 63047028
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 63044789
4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 63535667
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63486006
4-bromo-2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]thiophene
CID 63534490
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine (CID 63045122) is [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine is NCc1ccc(OCc2cc(Br)cs2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine?
The InChIKey is JXRBTIWHPILRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c13-9-4-10(17-7-9)6-16-12-2-1-8(5-15)3-11(12)14/h1-4,7H,5-6,15H2.
What are the key properties of [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine?
[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine has a molecular weight of 377.10 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 63045122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).