(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine

C15H10Cl2FNO — CID 114728541

IUPAC(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc2cccc(Cl)c2o1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H10Cl2FNO/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14H,19H2
InChIKeyIZCLIEQJPGSRKP-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.93
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine

(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine (PubChem CID 114728541) has the molecular formula C15H10Cl2FNO and a molecular weight of 310.16 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
PubChem CID114728541
Molecular FormulaC15H10Cl2FNO
Molecular Weight310.16 g/mol
Exact Mass309.01
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc2cccc(Cl)c2o1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H10Cl2FNO/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14H,19H2
InChIKeyIZCLIEQJPGSRKP-UHFFFAOYSA-N
XLogP4.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine (CID 114728541) is (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine is NC(c1cc2cccc(Cl)c2o1)c1ccc(Cl)cc1F.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The InChIKey is IZCLIEQJPGSRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14H,19H2.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine has a molecular weight of 310.16 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 114728541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).