2-(3-amino-4-methoxyphenoxy)propanenitrile

C10H12N2O2 — CID 103201436

IUPAC2-(3-amino-4-methoxyphenoxy)propanenitrile
SMILESCOc1ccc(OC(C)C#N)cc1N
InChIInChI=1S/C10H12N2O2/c1-7(6-11)14-8-3-4-10(13-2)9(12)5-8/h3-5,7H,12H2,1-2H3
InChIKeyITDVMDOYIRSREH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.57
Rot. Bonds3

About 2-(3-amino-4-methoxyphenoxy)propanenitrile

2-(3-amino-4-methoxyphenoxy)propanenitrile (PubChem CID 103201436) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenoxy)propanenitrile.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenoxy)propanenitrile
PubChem CID103201436
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(3-amino-4-methoxyphenoxy)propanenitrile
SMILESCOc1ccc(OC(C)C#N)cc1N
InChIInChI=1S/C10H12N2O2/c1-7(6-11)14-8-3-4-10(13-2)9(12)5-8/h3-5,7H,12H2,1-2H3
InChIKeyITDVMDOYIRSREH-UHFFFAOYSA-N
XLogP1.57
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-propan-2-yloxyaniline
CID 10081024
2-(4-bromo-3-methoxyphenoxy)propanenitrile
CID 22688549
2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
CID 166073807
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2,5-di(propan-2-yloxy)aniline
CID 18997718
2-(3,4-difluorophenoxy)propanenitrile
CID 60666917
2-(3-bromo-4-fluorophenoxy)propanenitrile
CID 83233217
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
4-(3-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 103202022
(2S)-2-(4-methoxy-2-nitrophenoxy)propanenitrile
CID 7681030

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenoxy)propanenitrile?
The IUPAC name of 2-(3-amino-4-methoxyphenoxy)propanenitrile (CID 103201436) is 2-(3-amino-4-methoxyphenoxy)propanenitrile.
What is the SMILES notation for 2-(3-amino-4-methoxyphenoxy)propanenitrile?
The canonical SMILES for 2-(3-amino-4-methoxyphenoxy)propanenitrile is COc1ccc(OC(C)C#N)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxyphenoxy)propanenitrile?
The InChIKey is ITDVMDOYIRSREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(6-11)14-8-3-4-10(13-2)9(12)5-8/h3-5,7H,12H2,1-2H3.
What are the key properties of 2-(3-amino-4-methoxyphenoxy)propanenitrile?
2-(3-amino-4-methoxyphenoxy)propanenitrile has a molecular weight of 192.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenoxy)propanenitrile is sourced from PubChem (CID 103201436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).