N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline

C15H12FNO — CID 80701548

IUPACN-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
SMILESFc1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C15H12FNO/c16-13-6-2-3-7-14(13)17-9-11-10-18-15-8-4-1-5-12(11)15/h1-8,10,17H,9H2
InChIKeyLMWKETSAPMNWQE-UHFFFAOYSA-N
MW241.27 g/mol
LogP4.18
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline

N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline (PubChem CID 80701548) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
PubChem CID80701548
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
SMILESFc1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C15H12FNO/c16-13-6-2-3-7-14(13)17-9-11-10-18-15-8-4-1-5-12(11)15/h1-8,10,17H,9H2
InChIKeyLMWKETSAPMNWQE-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
CID 80701760
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
CID 115124164
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
CID 80700432
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
CID 80703281
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline (CID 80701548) is N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline is Fc1ccccc1NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline?
The InChIKey is LMWKETSAPMNWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-6-2-3-7-14(13)17-9-11-10-18-15-8-4-1-5-12(11)15/h1-8,10,17H,9H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline?
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline has a molecular weight of 241.27 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline is sourced from PubChem (CID 80701548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).