(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine

C12H11Br2NOS — CID 113296012

IUPAC(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccc(Br)s1
InChIInChI=1S/C12H11Br2NOS/c1-16-9-6-7(13)2-3-8(9)12(15)10-4-5-11(14)17-10/h2-6,12H,15H2,1H3
InChIKeyFCWSBRCKEQZRAB-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.33
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine

(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine (PubChem CID 113296012) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
PubChem CID113296012
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC Name(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccc(Br)s1
InChIInChI=1S/C12H11Br2NOS/c1-16-9-6-7(13)2-3-8(9)12(15)10-4-5-11(14)17-10/h2-6,12H,15H2,1H3
InChIKeyFCWSBRCKEQZRAB-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 43464453
(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474194
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966
[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105295836
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine (CID 113296012) is (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine is COc1cc(Br)ccc1C(N)c1ccc(Br)s1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine?
The InChIKey is FCWSBRCKEQZRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c1-16-9-6-7(13)2-3-8(9)12(15)10-4-5-11(14)17-10/h2-6,12H,15H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine?
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine has a molecular weight of 377.10 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 113296012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).