(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine

C16H13ClFNO — CID 105048451

IUPAC(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H13ClFNO/c1-9-5-6-13(18)11(7-9)15(19)14-8-10-3-2-4-12(17)16(10)20-14/h2-8,15H,19H2,1H3
InChIKeyLWGFAWNQITXVDQ-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.58
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine

(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 105048451) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID105048451
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H13ClFNO/c1-9-5-6-13(18)11(7-9)15(19)14-8-10-3-2-4-12(17)16(10)20-14/h2-8,15H,19H2,1H3
InChIKeyLWGFAWNQITXVDQ-UHFFFAOYSA-N
XLogP4.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine (CID 105048451) is (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is LWGFAWNQITXVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-9-5-6-13(18)11(7-9)15(19)14-8-10-3-2-4-12(17)16(10)20-14/h2-8,15H,19H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 289.74 g/mol, XLogP of 4.58, 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)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 105048451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).