(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C16H13ClFNO — CID 106858732

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

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

(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 106858732) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID106858732
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2cc3cccc(F)c3o2)c(Cl)c1
InChIInChI=1S/C16H13ClFNO/c1-9-5-6-11(12(17)7-9)15(19)14-8-10-3-2-4-13(18)16(10)20-14/h2-8,15H,19H2,1H3
InChIKeyAEJMYOCSJOSKBA-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

(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
(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
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 106858732) is (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is Cc1ccc(C(N)c2cc3cccc(F)c3o2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is AEJMYOCSJOSKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-9-5-6-11(12(17)7-9)15(19)14-8-10-3-2-4-13(18)16(10)20-14/h2-8,15H,19H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)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 (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 106858732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).