(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

C16H12ClF2NO — CID 105045726

IUPAC(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc3cc(Cl)ccc3o2)c(F)cc1F
InChIInChI=1S/C16H12ClF2NO/c1-8-4-11(13(19)7-12(8)18)16(20)15-6-9-5-10(17)2-3-14(9)21-15/h2-7,16H,20H2,1H3
InChIKeyBDZBLRMZMKAWEB-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.72
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 105045726) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID105045726
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc3cc(Cl)ccc3o2)c(F)cc1F
InChIInChI=1S/C16H12ClF2NO/c1-8-4-11(13(19)7-12(8)18)16(20)15-6-9-5-10(17)2-3-14(9)21-15/h2-7,16H,20H2,1H3
InChIKeyBDZBLRMZMKAWEB-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

1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
CID 105185666
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 105045726) is (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2cc3cc(Cl)ccc3o2)c(F)cc1F.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is BDZBLRMZMKAWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c1-8-4-11(13(19)7-12(8)18)16(20)15-6-9-5-10(17)2-3-14(9)21-15/h2-7,16H,20H2,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)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-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 105045726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).