[7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H15F2NO2 — CID 56702102

IUPAC[7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1c(F)cc(-c2cccc3c2OC(CN)C3)cc1F
InChIInChI=1S/C16H15F2NO2/c1-20-16-13(17)6-10(7-14(16)18)12-4-2-3-9-5-11(8-19)21-15(9)12/h2-4,6-7,11H,5,8,19H2,1H3
InChIKeyNROAXXVYLGMJDS-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.90
Rot. Bonds3

About [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56702102) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56702102
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name[7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1c(F)cc(-c2cccc3c2OC(CN)C3)cc1F
InChIInChI=1S/C16H15F2NO2/c1-20-16-13(17)6-10(7-14(16)18)12-4-2-3-9-5-11(8-19)21-15(9)12/h2-4,6-7,11H,5,8,19H2,1H3
InChIKeyNROAXXVYLGMJDS-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine with MolForge

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Related Compounds

5-Apdb
CID 192601
Tetrahydrofuranyl ethylamine, 15
CID 44143473
[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine
CID 44590726
cis-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenylmethyl)tetrahydrofuran
CID 11499666
trans-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenylmethyl)tetrahydrofuran
CID 44590690
2-[2-[(3-Ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
CID 56673396
(2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine
CID 44579372
[(2R,5R)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine
CID 44590727
[(2R,5S)-5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]methanamine
CID 44590728
2-Aminomethyl-5-(2''-methoxy-5''-fluorophenyl)tetrahydrofuran
CID 11492305
trans-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenyl)tetrahydrofuran
CID 44590643
2-Benzofuranmethylamine, 2,3-dihydro-5-methyl-, hydrochloride
CID 29839

Frequently Asked Questions

What is the IUPAC name of [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56702102) is [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1c(F)cc(-c2cccc3c2OC(CN)C3)cc1F.
What is the InChIKey of [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is NROAXXVYLGMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-20-16-13(17)6-10(7-14(16)18)12-4-2-3-9-5-11(8-19)21-15(9)12/h2-4,6-7,11H,5,8,19H2,1H3.
What are the key properties of [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 291.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,5-difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56702102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).