3-[3-(aminomethyl)anilino]benzonitrile

C14H13N3 — CID 117027344

IUPAC3-[3-(aminomethyl)anilino]benzonitrile
SMILESN#Cc1cccc(Nc2cccc(CN)c2)c1
InChIInChI=1S/C14H13N3/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9,15H2
InChIKeyZRDVOCOQYSWUBV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.76
Rot. Bonds3

About 3-[3-(aminomethyl)anilino]benzonitrile

3-[3-(aminomethyl)anilino]benzonitrile (PubChem CID 117027344) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[3-(aminomethyl)anilino]benzonitrile.

Molecular Properties

Compound Name3-[3-(aminomethyl)anilino]benzonitrile
PubChem CID117027344
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-[3-(aminomethyl)anilino]benzonitrile
SMILESN#Cc1cccc(Nc2cccc(CN)c2)c1
InChIInChI=1S/C14H13N3/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9,15H2
InChIKeyZRDVOCOQYSWUBV-UHFFFAOYSA-N
XLogP2.76
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
3-[4-(aminomethyl)-2-fluoroanilino]benzonitrile
CID 82292940
3-[amino(dideuterio)methyl]benzonitrile
CID 175940436
3-hydrazinylbenzonitrile chloride
CID 18677448
3-(3-amino-5-methylanilino)benzonitrile
CID 112647049
3-(4-aminobutylamino)benzonitrile
CID 94253346
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
3-(sulfanylamino)benzonitrile
CID 142255367
[3-(aminomethyl)phenyl]methanamine;thiocyanic acid
CID 175054435
4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63767795
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
[3-(aminomethyl)phenyl]methanamine;benzene-1,3-dicarbonitrile;methane;[3-(methylaminomethyl)phenyl]methanamine;3-(methyliminomethyl)benzonitrile;N-methyl-1-[3-(methylaminomethyl)phenyl]methanamine;N-methyl-1-[3-(methyliminomethyl)phenyl]methanimine
CID 158511257

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)anilino]benzonitrile?
The IUPAC name of 3-[3-(aminomethyl)anilino]benzonitrile (CID 117027344) is 3-[3-(aminomethyl)anilino]benzonitrile.
What is the SMILES notation for 3-[3-(aminomethyl)anilino]benzonitrile?
The canonical SMILES for 3-[3-(aminomethyl)anilino]benzonitrile is N#Cc1cccc(Nc2cccc(CN)c2)c1.
What is the InChIKey of 3-[3-(aminomethyl)anilino]benzonitrile?
The InChIKey is ZRDVOCOQYSWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9,15H2.
What are the key properties of 3-[3-(aminomethyl)anilino]benzonitrile?
3-[3-(aminomethyl)anilino]benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)anilino]benzonitrile is sourced from PubChem (CID 117027344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).