(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine

C12H11BrFNOS — CID 43474194

IUPAC(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)s2)cc1F
InChIInChI=1S/C12H11BrFNOS/c1-16-9-3-2-7(6-8(9)14)12(15)10-4-5-11(13)17-10/h2-6,12H,15H2,1H3
InChIKeyQZLHFFRSQZAINX-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.71
Rot. Bonds3

About (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine

(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43474194) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID43474194
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)s2)cc1F
InChIInChI=1S/C12H11BrFNOS/c1-16-9-3-2-7(6-8(9)14)12(15)10-4-5-11(13)17-10/h2-6,12H,15H2,1H3
InChIKeyQZLHFFRSQZAINX-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.71
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
(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474225
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 81283235
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(5-bromo-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474213
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 104995849
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 106877521
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 43474194) is (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Br)s2)cc1F.
What is the InChIKey of (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is QZLHFFRSQZAINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-16-9-3-2-7(6-8(9)14)12(15)10-4-5-11(13)17-10/h2-6,12H,15H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 316.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43474194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).