2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine

C15H13FN2O — CID 115124164

IUPAC2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1NCc1coc2ccccc12
InChIInChI=1S/C15H13FN2O/c16-11-5-6-13(17)14(7-11)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,9,18H,8,17H2
InChIKeyKEWYEJRIYWOYEU-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.77
Rot. Bonds3

About 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine

2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine (PubChem CID 115124164) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
PubChem CID115124164
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1NCc1coc2ccccc12
InChIInChI=1S/C15H13FN2O/c16-11-5-6-13(17)14(7-11)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,9,18H,8,17H2
InChIKeyKEWYEJRIYWOYEU-UHFFFAOYSA-N
XLogP3.77
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
CID 80701760
4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine
CID 115124152
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
N-(1-benzofuran-3-ylmethyl)-3-fluoro-5-nitroaniline
CID 107334592
4-fluoro-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115124154
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592
N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
CID 80703281

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine (CID 115124164) is 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine is Nc1ccc(F)cc1NCc1coc2ccccc12.
What is the InChIKey of 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is KEWYEJRIYWOYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-11-5-6-13(17)14(7-11)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,9,18H,8,17H2.
What are the key properties of 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine?
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 256.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115124164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).