2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde

C14H14FNO2 — CID 61423708

IUPAC2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
SMILESCCN(Cc1ccco1)c1ccc(F)cc1C=O
InChIInChI=1S/C14H14FNO2/c1-2-16(9-13-4-3-7-18-13)14-6-5-12(15)8-11(14)10-17/h3-8,10H,2,9H2,1H3
InChIKeyXTBNJCVUOWSKSZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.26
Rot. Bonds5

About 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde

2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde (PubChem CID 61423708) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
PubChem CID61423708
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
SMILESCCN(Cc1ccco1)c1ccc(F)cc1C=O
InChIInChI=1S/C14H14FNO2/c1-2-16(9-13-4-3-7-18-13)14-6-5-12(15)8-11(14)10-17/h3-8,10H,2,9H2,1H3
InChIKeyXTBNJCVUOWSKSZ-UHFFFAOYSA-N
XLogP3.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzenecarbothioamide
CID 63673700
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorobenzaldehyde
CID 43312933
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
CID 39351607
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320
5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426683
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione
CID 81302020
3-bromo-4-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 82796951
2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
CID 63369519

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde?
The IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde (CID 61423708) is 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde is CCN(Cc1ccco1)c1ccc(F)cc1C=O.
What is the InChIKey of 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde?
The InChIKey is XTBNJCVUOWSKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-16(9-13-4-3-7-18-13)14-6-5-12(15)8-11(14)10-17/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde?
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde has a molecular weight of 247.27 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde is sourced from PubChem (CID 61423708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).