(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

C15H14ClNO2 — CID 112614639

IUPAC(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(Cl)c3o2)c(C)o1
InChIInChI=1S/C15H14ClNO2/c1-8-6-11(9(2)18-8)14(17)13-7-10-4-3-5-12(16)15(10)19-13/h3-7,14H,17H2,1-2H3
InChIKeyJGFMMRJNIKVNDG-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.34
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 112614639) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID112614639
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(Cl)c3o2)c(C)o1
InChIInChI=1S/C15H14ClNO2/c1-8-6-11(9(2)18-8)14(17)13-7-10-4-3-5-12(16)15(10)19-13/h3-7,14H,17H2,1-2H3
InChIKeyJGFMMRJNIKVNDG-UHFFFAOYSA-N
XLogP4.34
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731255

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 112614639) is (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2cc3cccc(Cl)c3o2)c(C)o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is JGFMMRJNIKVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-8-6-11(9(2)18-8)14(17)13-7-10-4-3-5-12(16)15(10)19-13/h3-7,14H,17H2,1-2H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 275.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 112614639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).