(3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine

C11H9BrClNO — CID 115566693

IUPAC(3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(Br)c1)c1ccco1
InChIInChI=1S/C11H9BrClNO/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11H,14H2
InChIKeyLOTLLBMGQXRGSR-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.74
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine

(3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine (PubChem CID 115566693) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine
PubChem CID115566693
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name(3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(Br)c1)c1ccco1
InChIInChI=1S/C11H9BrClNO/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11H,14H2
InChIKeyLOTLLBMGQXRGSR-UHFFFAOYSA-N
XLogP3.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
CID 107993178
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115566688
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(4-bromo-3-chlorophenyl)-(furan-2-yl)methanol
CID 115797505
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 113421651
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
CID 83230882
(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
CID 81109749

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine (CID 115566693) is (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine is NC(c1ccc(Cl)c(Br)c1)c1ccco1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine?
The InChIKey is LOTLLBMGQXRGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11H,14H2.
What are the key properties of (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine?
(3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine has a molecular weight of 286.56 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine is sourced from PubChem (CID 115566693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).