2-(1-methoxypropan-2-ylamino)benzonitrile

C11H14N2O — CID 43180296

IUPAC2-(1-methoxypropan-2-ylamino)benzonitrile
SMILESCOCC(C)Nc1ccccc1C#N
InChIInChI=1S/C11H14N2O/c1-9(8-14-2)13-11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3
InChIKeyGVFGZORLTAJZKP-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.01
Rot. Bonds4

About 2-(1-methoxypropan-2-ylamino)benzonitrile

2-(1-methoxypropan-2-ylamino)benzonitrile (PubChem CID 43180296) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)benzonitrile
PubChem CID43180296
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(1-methoxypropan-2-ylamino)benzonitrile
SMILESCOCC(C)Nc1ccccc1C#N
InChIInChI=1S/C11H14N2O/c1-9(8-14-2)13-11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3
InChIKeyGVFGZORLTAJZKP-UHFFFAOYSA-N
XLogP2.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)benzonitrile
CID 43178639
4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 130810747
2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 60710986
2-(heptan-2-ylamino)benzonitrile
CID 43100327
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2-(nonan-2-ylamino)benzonitrile
CID 43129839
2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
CID 60966388
2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102867821
6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 118036473
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
CID 60965677
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)benzonitrile?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)benzonitrile (CID 43180296) is 2-(1-methoxypropan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)benzonitrile?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)benzonitrile is COCC(C)Nc1ccccc1C#N.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)benzonitrile?
The InChIKey is GVFGZORLTAJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(8-14-2)13-11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-ylamino)benzonitrile?
2-(1-methoxypropan-2-ylamino)benzonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)benzonitrile is sourced from PubChem (CID 43180296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).