(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine

C13H13BrClNO — CID 107950523

IUPAC(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)o1
InChIInChI=1S/C13H13BrClNO/c1-7-3-12(8(2)17-7)13(16)9-4-10(14)6-11(15)5-9/h3-6,13H,16H2,1-2H3
InChIKeyLNRLHWGFJCDLDQ-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.36
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine

(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 107950523) has the molecular formula C13H13BrClNO and a molecular weight of 314.61 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID107950523
Molecular FormulaC13H13BrClNO
Molecular Weight314.61 g/mol
Exact Mass312.99
IUPAC Name(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)o1
InChIInChI=1S/C13H13BrClNO/c1-7-3-12(8(2)17-7)13(16)9-4-10(14)6-11(15)5-9/h3-6,13H,16H2,1-2H3
InChIKeyLNRLHWGFJCDLDQ-UHFFFAOYSA-N
XLogP4.36
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 104545305
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine (CID 107950523) is (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)o1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is LNRLHWGFJCDLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO/c1-7-3-12(8(2)17-7)13(16)9-4-10(14)6-11(15)5-9/h3-6,13H,16H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 314.61 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 107950523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).