(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine

C13H13Br2NO — CID 107979824

IUPAC(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C13H13Br2NO/c1-2-11-3-4-12(17-11)13(16)8-5-9(14)7-10(15)6-8/h3-7,13H,2,16H2,1H3
InChIKeySKHCKAIJSOYNCJ-UHFFFAOYSA-N
MW359.06 g/mol
LogP4.42
Rot. Bonds3

About (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine

(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 107979824) has the molecular formula C13H13Br2NO and a molecular weight of 359.06 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
PubChem CID107979824
Molecular FormulaC13H13Br2NO
Molecular Weight359.06 g/mol
Exact Mass356.94
IUPAC Name(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C13H13Br2NO/c1-2-11-3-4-12(17-11)13(16)8-5-9(14)7-10(15)6-8/h3-7,13H,2,16H2,1H3
InChIKeySKHCKAIJSOYNCJ-UHFFFAOYSA-N
XLogP4.42
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.06
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 81472297
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613
(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(5-ethylfuran-2-yl)-(5-methylfuran-3-yl)methanamine
CID 114820210
(S)-(5-ethylfuran-2-yl)-thiophen-3-ylmethanamine
CID 94398939
(5-bromothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 62344791
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(5-ethylfuran-2-yl)-(3-methoxyphenyl)methanamine
CID 55061699
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 102827978
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine (CID 107979824) is (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2cc(Br)cc(Br)c2)o1.
What is the InChIKey of (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is SKHCKAIJSOYNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO/c1-2-11-3-4-12(17-11)13(16)8-5-9(14)7-10(15)6-8/h3-7,13H,2,16H2,1H3.
What are the key properties of (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 359.06 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 107979824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).