(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine

C17H17F2NO — CID 62648407

IUPAC(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)Cc2cc(C(N)c3cccc(F)c3F)ccc2O1
InChIInChI=1S/C17H17F2NO/c1-17(2)9-11-8-10(6-7-14(11)21-17)16(20)12-4-3-5-13(18)15(12)19/h3-8,16H,9,20H2,1-2H3
InChIKeyGDMLJFPIUIZNAH-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.73
Rot. Bonds2

About (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine

(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine (PubChem CID 62648407) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
PubChem CID62648407
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)Cc2cc(C(N)c3cccc(F)c3F)ccc2O1
InChIInChI=1S/C17H17F2NO/c1-17(2)9-11-8-10(6-7-14(11)21-17)16(20)12-4-3-5-13(18)15(12)19/h3-8,16H,9,20H2,1-2H3
InChIKeyGDMLJFPIUIZNAH-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 62660576
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
CID 62326697
(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 62324313
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62324505
5-[bromo-(2,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447758
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
CID 62325437
5-[chloro-(3,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447840
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
CID 62326718
5-[1-bromo-2-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447486
5-(1-chloro-2,2,2-trifluoroethyl)-2,2-dimethyl-3H-1-benzofuran
CID 55061822
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)octan-1-amine
CID 63504906
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine (CID 62648407) is (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine is CC1(C)Cc2cc(C(N)c3cccc(F)c3F)ccc2O1.
What is the InChIKey of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
The InChIKey is GDMLJFPIUIZNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-17(2)9-11-8-10(6-7-14(11)21-17)16(20)12-4-3-5-13(18)15(12)19/h3-8,16H,9,20H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine has a molecular weight of 289.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 62648407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).