2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile

C14H12FN3 — CID 66616777

IUPAC2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1Nc1ccc(CN)cc1
InChIInChI=1S/C14H12FN3/c15-12-4-3-11(9-17)14(7-12)18-13-5-1-10(8-16)2-6-13/h1-7,18H,8,16H2
InChIKeyLLWCCMFSHYGCCE-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.90
Rot. Bonds3

About 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile

2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile (PubChem CID 66616777) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile
PubChem CID66616777
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1Nc1ccc(CN)cc1
InChIInChI=1S/C14H12FN3/c15-12-4-3-11(9-17)14(7-12)18-13-5-1-10(8-16)2-6-13/h1-7,18H,8,16H2
InChIKeyLLWCCMFSHYGCCE-UHFFFAOYSA-N
XLogP2.90
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 135372419
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(4-butylanilino)-5-fluorobenzonitrile
CID 63668868
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
5-[4-(aminomethyl)anilino]-6-(4-fluoroanilino)isoindole-1,3-dione
CID 22918439
N-[[4-(2-cyano-5-fluoroanilino)phenyl]methyl]-1-(2-oxo-2-pyrimidin-5-ylethyl)cyclopropane-1-carboxamide
CID 149308940
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
3-[4-(aminomethyl)-2-fluoroanilino]benzonitrile
CID 82292940
5-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
CID 62318209
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile
CID 107528654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile?
The IUPAC name of 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile (CID 66616777) is 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile?
The canonical SMILES for 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1Nc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile?
The InChIKey is LLWCCMFSHYGCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-12-4-3-11(9-17)14(7-12)18-13-5-1-10(8-16)2-6-13/h1-7,18H,8,16H2.
What are the key properties of 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile?
2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile has a molecular weight of 241.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile is sourced from PubChem (CID 66616777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).