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

C16H13ClFNO2 — CID 114730389

IUPAC(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C16H13ClFNO2/c1-20-10-5-6-11(13(18)8-10)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8,15H,19H2,1H3
InChIKeyCXETWANBBRGKQH-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.28
Rot. Bonds3

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

(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 114730389) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID114730389
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C16H13ClFNO2/c1-20-10-5-6-11(13(18)8-10)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8,15H,19H2,1H3
InChIKeyCXETWANBBRGKQH-UHFFFAOYSA-N
XLogP4.28
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
CID 61263642
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 114730389) is (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc3cccc(Cl)c3o2)c(F)c1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is CXETWANBBRGKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c1-20-10-5-6-11(13(18)8-10)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8,15H,19H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 305.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 114730389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).