(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine

C11H8Br2FNO — CID 106648228

IUPAC(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine
SMILESNC(c1ccc(Br)o1)c1cccc(Br)c1F
InChIInChI=1S/C11H8Br2FNO/c12-7-3-1-2-6(10(7)14)11(15)8-4-5-9(13)16-8/h1-5,11H,15H2
InChIKeyMNOLMMHGINDQKS-UHFFFAOYSA-N
MW349.00 g/mol
LogP3.99
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine

(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine (PubChem CID 106648228) has the molecular formula C11H8Br2FNO and a molecular weight of 349.00 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine
PubChem CID106648228
Molecular FormulaC11H8Br2FNO
Molecular Weight349.00 g/mol
Exact Mass346.90
IUPAC Name(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine
SMILESNC(c1ccc(Br)o1)c1cccc(Br)c1F
InChIInChI=1S/C11H8Br2FNO/c12-7-3-1-2-6(10(7)14)11(15)8-4-5-9(13)16-8/h1-5,11H,15H2
InChIKeyMNOLMMHGINDQKS-UHFFFAOYSA-N
XLogP3.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 43464215
(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107953818
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(5-bromofuran-2-yl)-(2-chloro-5-fluorophenyl)methanamine
CID 105397394
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine (CID 106648228) is (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine is NC(c1ccc(Br)o1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine?
The InChIKey is MNOLMMHGINDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FNO/c12-7-3-1-2-6(10(7)14)11(15)8-4-5-9(13)16-8/h1-5,11H,15H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine?
(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine has a molecular weight of 349.00 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine is sourced from PubChem (CID 106648228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).