2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile

C11H14N2O — CID 55135953

IUPAC2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NC(C)CO)c1
InChIInChI=1S/C11H14N2O/c1-8-3-4-10(6-12)11(5-8)13-9(2)7-14/h3-5,9,13-14H,7H2,1-2H3
InChIKeyUJZIEQGPXWDNMK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.66
Rot. Bonds3

About 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile

2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile (PubChem CID 55135953) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
PubChem CID55135953
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NC(C)CO)c1
InChIInChI=1S/C11H14N2O/c1-8-3-4-10(6-12)11(5-8)13-9(2)7-14/h3-5,9,13-14H,7H2,1-2H3
InChIKeyUJZIEQGPXWDNMK-UHFFFAOYSA-N
XLogP1.66
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-ylamino)-4-methoxybenzonitrile
CID 81305599
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
2-(2-cyano-5-methylanilino)-N-ethylpropanamide
CID 62307281
2-(2-cyano-5-methylanilino)-N-propylpropanamide
CID 62307791
2-[1-(4-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62307844
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
4-methyl-2-(1-phenylpropylamino)benzonitrile
CID 62305230
4-methyl-2-(prop-2-ynylamino)benzonitrile
CID 62307299
4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]benzonitrile
CID 106214140
4-bromo-2-(butan-2-ylamino)benzonitrile
CID 114901241
5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile
CID 107927181
2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
CID 62499274

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile?
The IUPAC name of 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile (CID 55135953) is 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile?
The canonical SMILES for 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile is Cc1ccc(C#N)c(NC(C)CO)c1.
What is the InChIKey of 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile?
The InChIKey is UJZIEQGPXWDNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-4-10(6-12)11(5-8)13-9(2)7-14/h3-5,9,13-14H,7H2,1-2H3.
What are the key properties of 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile?
2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile is sourced from PubChem (CID 55135953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).