3-(aminomethyl)-2-methylbenzonitrile

C9H10N2 — CID 67666670

IUPAC3-(aminomethyl)-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1CN
InChIInChI=1S/C9H10N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,5,10H2,1H3
InChIKeyUFPRJGRQZFLZMD-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.33
Rot. Bonds1

About 3-(aminomethyl)-2-methylbenzonitrile

3-(aminomethyl)-2-methylbenzonitrile (PubChem CID 67666670) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methylbenzonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-2-methylbenzonitrile
PubChem CID67666670
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-(aminomethyl)-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1CN
InChIInChI=1S/C9H10N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,5,10H2,1H3
InChIKeyUFPRJGRQZFLZMD-UHFFFAOYSA-N
XLogP1.33
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-aminopropyl]-2-methylbenzonitrile
CID 99945744
(3-but-1-ynyl-2-methylphenyl)methanamine
CID 89100062
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
3-(3-bromo-2-oxopropyl)-2-methylbenzonitrile
CID 130780168
3-(aminomethyl)-6-cyano-2-methylbenzoic acid
CID 131118349
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
3-[(1S)-1-amino-2-cyanoethyl]-2-methylbenzonitrile
CID 130969797
3-(aminomethyl)-2-methyl-6-sulfanylbenzonitrile
CID 174376171
2-(3-cyano-2-methylphenyl)guanidine
CID 174548760
3-(ethylamino)-2-methylbenzonitrile
CID 130920510
3-methanehydrazonoyl-2-methylbenzonitrile
CID 168529204
2-(2-aminoethyl)benzonitrile;hydrochloride
CID 50999321

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methylbenzonitrile?
The IUPAC name of 3-(aminomethyl)-2-methylbenzonitrile (CID 67666670) is 3-(aminomethyl)-2-methylbenzonitrile.
What is the SMILES notation for 3-(aminomethyl)-2-methylbenzonitrile?
The canonical SMILES for 3-(aminomethyl)-2-methylbenzonitrile is Cc1c(C#N)cccc1CN.
What is the InChIKey of 3-(aminomethyl)-2-methylbenzonitrile?
The InChIKey is UFPRJGRQZFLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,5,10H2,1H3.
What are the key properties of 3-(aminomethyl)-2-methylbenzonitrile?
3-(aminomethyl)-2-methylbenzonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methylbenzonitrile is sourced from PubChem (CID 67666670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).