4-amino-2-(2-methylpropoxy)benzonitrile

C11H14N2O — CID 122504415

IUPAC4-amino-2-(2-methylpropoxy)benzonitrile
SMILESCC(C)COc1cc(N)ccc1C#N
InChIInChI=1S/C11H14N2O/c1-8(2)7-14-11-5-10(13)4-3-9(11)6-12/h3-5,8H,7,13H2,1-2H3
InChIKeyPARCJVLKHZOOHQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.18
Rot. Bonds3

About 4-amino-2-(2-methylpropoxy)benzonitrile

4-amino-2-(2-methylpropoxy)benzonitrile (PubChem CID 122504415) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropoxy)benzonitrile.

Molecular Properties

Compound Name4-amino-2-(2-methylpropoxy)benzonitrile
PubChem CID122504415
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-amino-2-(2-methylpropoxy)benzonitrile
SMILESCC(C)COc1cc(N)ccc1C#N
InChIInChI=1S/C11H14N2O/c1-8(2)7-14-11-5-10(13)4-3-9(11)6-12/h3-5,8H,7,13H2,1-2H3
InChIKeyPARCJVLKHZOOHQ-UHFFFAOYSA-N
XLogP2.18
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2-methylpropoxy)benzonitrile
CID 62302468
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
4-amino-2-(diethoxyphosphorylmethoxy)benzonitrile
CID 59810072
3-ethyl-4-(2-methylpropoxy)aniline
CID 146676297
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
CID 90335721
CID 90335721
4-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzonitrile
CID 106447586
5-amino-2-(cyanomethoxy)benzonitrile
CID 61269952
5-amino-2-(3-cyanopropoxy)benzonitrile
CID 61267359
2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate
CID 43551360
2-[3-(2,5-diaminophenoxy)-2-methylpropoxy]benzene-1,4-diamine
CID 70541504
4-amino-2-[(1R)-1-amino-2-methoxyethyl]benzonitrile
CID 130715081

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropoxy)benzonitrile?
The IUPAC name of 4-amino-2-(2-methylpropoxy)benzonitrile (CID 122504415) is 4-amino-2-(2-methylpropoxy)benzonitrile.
What is the SMILES notation for 4-amino-2-(2-methylpropoxy)benzonitrile?
The canonical SMILES for 4-amino-2-(2-methylpropoxy)benzonitrile is CC(C)COc1cc(N)ccc1C#N.
What is the InChIKey of 4-amino-2-(2-methylpropoxy)benzonitrile?
The InChIKey is PARCJVLKHZOOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)7-14-11-5-10(13)4-3-9(11)6-12/h3-5,8H,7,13H2,1-2H3.
What are the key properties of 4-amino-2-(2-methylpropoxy)benzonitrile?
4-amino-2-(2-methylpropoxy)benzonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropoxy)benzonitrile is sourced from PubChem (CID 122504415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).