2-(2-methylanilino)acetonitrile

C9H10N2 — CID 28018

IUPAC2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NCC#N
InChIInChI=1S/C9H10N2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,11H,7H2,1H3
InChIKeyLGQSLWOZIBVRQZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.93
Rot. Bonds2

About 2-(2-methylanilino)acetonitrile

2-(2-methylanilino)acetonitrile (PubChem CID 28018) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(2-methylanilino)acetonitrile
PubChem CID28018
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NCC#N
InChIInChI=1S/C9H10N2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,11H,7H2,1H3
InChIKeyLGQSLWOZIBVRQZ-UHFFFAOYSA-N
XLogP1.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

CID 175798397
CID 175798397
N,2-dimethylaniline
CID 163768915
2-(cyanomethylamino)benzamide
CID 3086271
N'-(2-methylphenyl)-N-phenylmethanediamine
CID 14173164
2-[(2-methylanilino)methyl]phenol
CID 3240149
N-(2-ethylbutyl)-2-methylaniline
CID 29290197
3-(2-methylanilino)propan-1-ol
CID 18005925
2-[[5-(2-methylphenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975653
3-(2-methylanilino)pent-4-enenitrile
CID 67325941
methyl 3-(2-methylanilino)propanoate
CID 12805940
N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(2-methylanilino)acetonitrile (CID 28018) is 2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(2-methylanilino)acetonitrile is Cc1ccccc1NCC#N.
What is the InChIKey of 2-(2-methylanilino)acetonitrile?
The InChIKey is LGQSLWOZIBVRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,11H,7H2,1H3.
What are the key properties of 2-(2-methylanilino)acetonitrile?
2-(2-methylanilino)acetonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 28018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).