2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile

C14H18FN3 — CID 63673607

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile
SMILESCCN1CCCC1CNc1ccc(F)cc1C#N
InChIInChI=1S/C14H18FN3/c1-2-18-7-3-4-13(18)10-17-14-6-5-12(15)8-11(14)9-16/h5-6,8,13,17H,2-4,7,10H2,1H3
InChIKeyXYETXATXCIOPOE-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile

2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile (PubChem CID 63673607) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile
PubChem CID63673607
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile
SMILESCCN1CCCC1CNc1ccc(F)cc1C#N
InChIInChI=1S/C14H18FN3/c1-2-18-7-3-4-13(18)10-17-14-6-5-12(15)8-11(14)9-16/h5-6,8,13,17H,2-4,7,10H2,1H3
InChIKeyXYETXATXCIOPOE-UHFFFAOYSA-N
XLogP2.59
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile 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

5-fluoro-2-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 63672584
4-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methylbenzonitrile
CID 60930598
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methylamino]benzonitrile
CID 62946348
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965964
2-N-(2,4-difluorophenyl)-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 142668736
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689
2-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-5-nitrobenzonitrile
CID 133417367
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
4-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79837693
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707226
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
5-fluoro-2-(oxan-2-ylmethylamino)benzonitrile
CID 63674808

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile (CID 63673607) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile is CCN1CCCC1CNc1ccc(F)cc1C#N.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile?
The InChIKey is XYETXATXCIOPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-18-7-3-4-13(18)10-17-14-6-5-12(15)8-11(14)9-16/h5-6,8,13,17H,2-4,7,10H2,1H3.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile?
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile has a molecular weight of 247.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile is sourced from PubChem (CID 63673607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).