(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine

C17H16FNO2 — CID 43149528

IUPAC(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2c(C)c(C(N)c3ccccc3F)oc2c1
InChIInChI=1S/C17H16FNO2/c1-10-12-8-7-11(20-2)9-15(12)21-17(10)16(19)13-5-3-4-6-14(13)18/h3-9,16H,19H2,1-2H3
InChIKeyZROBYRVUWYRZFB-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.94
Rot. Bonds3

About (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine

(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 43149528) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID43149528
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2c(C)c(C(N)c3ccccc3F)oc2c1
InChIInChI=1S/C17H16FNO2/c1-10-12-8-7-11(20-2)9-15(12)21-17(10)16(19)13-5-3-4-6-14(13)18/h3-9,16H,19H2,1-2H3
InChIKeyZROBYRVUWYRZFB-UHFFFAOYSA-N
XLogP3.94
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149529
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 64993209
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
CID 102949451
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63991665
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine (CID 43149528) is (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine is COc1ccc2c(C)c(C(N)c3ccccc3F)oc2c1.
What is the InChIKey of (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is ZROBYRVUWYRZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-12-8-7-11(20-2)9-15(12)21-17(10)16(19)13-5-3-4-6-14(13)18/h3-9,16H,19H2,1-2H3.
What are the key properties of (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 43149528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).