CID 59749252

C11H13N2O — CID 59749252

IUPAC—
SMILESCc1ccc(C#N)cc1OCC(C)[NH]
InChIInChI=1S/C11H13N2O/c1-8-3-4-10(6-12)5-11(8)14-7-9(2)13/h3-5,9,13H,7H2,1-2H3
InChIKeyTZICXTRIFBHBPQ-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.92
Rot. Bonds3

About CID 59749252

CID 59749252 (PubChem CID 59749252) has the molecular formula C11H13N2O and a molecular weight of 189.24 g/mol.

Molecular Properties

Compound NameCID 59749252
PubChem CID59749252
Molecular FormulaC11H13N2O
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Name—
SMILESCc1ccc(C#N)cc1OCC(C)[NH]
InChIInChI=1S/C11H13N2O/c1-8-3-4-10(6-12)5-11(8)14-7-9(2)13/h3-5,9,13H,7H2,1-2H3
InChIKeyTZICXTRIFBHBPQ-UHFFFAOYSA-N
XLogP1.92
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 59749252 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-difluoroethoxy)-4-methylbenzonitrile
CID 104853689
3-[3-(ethylamino)-2-methylpropoxy]-4-methylbenzonitrile
CID 107659675
4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
4-methyl-3-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 107658267
3-[2-hydroxy-3-(methylamino)propoxy]-4-methylbenzonitrile
CID 107657480
4-methyl-3-(methylsulfanylmethoxy)benzonitrile
CID 131020707
4-methyl-3-prop-2-ynoxybenzonitrile
CID 104841829
3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
CID 107658257
3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylbenzonitrile
CID 107657472
3-aminooxy-4-methylbenzonitrile
CID 130500377
3-[2-hydroxy-3-(2,2,2-trifluoroethoxy)propoxy]-4-methylbenzonitrile
CID 167920569
3-(6-chlorohexoxy)-4-methylbenzonitrile
CID 107657561

Frequently Asked Questions

What is the IUPAC name of CID 59749252?
The IUPAC name of CID 59749252 (CID 59749252) is not available.
What is the SMILES notation for CID 59749252?
The canonical SMILES for CID 59749252 is Cc1ccc(C#N)cc1OCC(C)[NH].
What is the InChIKey of CID 59749252?
The InChIKey is TZICXTRIFBHBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O/c1-8-3-4-10(6-12)5-11(8)14-7-9(2)13/h3-5,9,13H,7H2,1-2H3.
What are the key properties of CID 59749252?
CID 59749252 has a molecular weight of 189.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59749252 is sourced from PubChem (CID 59749252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).