(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine

C16H12ClF2NO — CID 62073399

IUPAC(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
SMILESCc1c(C(N)c2ccc(F)cc2F)oc2ccc(Cl)cc12
InChIInChI=1S/C16H12ClF2NO/c1-8-12-6-9(17)2-5-14(12)21-16(8)15(20)11-4-3-10(18)7-13(11)19/h2-7,15H,20H2,1H3
InChIKeyQGUZWQMGASTXHB-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.72
Rot. Bonds2

About (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine

(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine (PubChem CID 62073399) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
PubChem CID62073399
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
SMILESCc1c(C(N)c2ccc(F)cc2F)oc2ccc(Cl)cc12
InChIInChI=1S/C16H12ClF2NO/c1-8-12-6-9(17)2-5-14(12)21-16(8)15(20)11-4-3-10(18)7-13(11)19/h2-7,15H,20H2,1H3
InChIKeyQGUZWQMGASTXHB-UHFFFAOYSA-N
XLogP4.72
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62073231
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 62072900
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 63549324
2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105076751
(3,4-dichlorophenyl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63067697

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine (CID 62073399) is (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine is Cc1c(C(N)c2ccc(F)cc2F)oc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
The InChIKey is QGUZWQMGASTXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c1-8-12-6-9(17)2-5-14(12)21-16(8)15(20)11-4-3-10(18)7-13(11)19/h2-7,15H,20H2,1H3.
What are the key properties of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine has a molecular weight of 307.73 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 62073399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).