2-fluoro-N-[1-(furan-2-yl)ethyl]aniline

C12H12FNO — CID 43194896

IUPAC2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1ccccc1F)c1ccco1
InChIInChI=1S/C12H12FNO/c1-9(12-7-4-8-15-12)14-11-6-3-2-5-10(11)13/h2-9,14H,1H3
InChIKeyLAXAIGCKBINYPT-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.59
Rot. Bonds3

About 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline

2-fluoro-N-[1-(furan-2-yl)ethyl]aniline (PubChem CID 43194896) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
PubChem CID43194896
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1ccccc1F)c1ccco1
InChIInChI=1S/C12H12FNO/c1-9(12-7-4-8-15-12)14-11-6-3-2-5-10(11)13/h2-9,14H,1H3
InChIKeyLAXAIGCKBINYPT-UHFFFAOYSA-N
XLogP3.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline 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

2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
CID 66101255
2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 2941224
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 65467932
2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 79838073
2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60943526
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-chloro-6-[1-(furan-2-yl)ethylamino]benzenecarbothioamide
CID 55079374
2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile
CID 169341274
tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
CID 107240911

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline?
The IUPAC name of 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline (CID 43194896) is 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline is CC(Nc1ccccc1F)c1ccco1.
What is the InChIKey of 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline?
The InChIKey is LAXAIGCKBINYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-9(12-7-4-8-15-12)14-11-6-3-2-5-10(11)13/h2-9,14H,1H3.
What are the key properties of 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline?
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline has a molecular weight of 205.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(furan-2-yl)ethyl]aniline is sourced from PubChem (CID 43194896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).