4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile

C15H14N2O — CID 81279070

IUPAC4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
SMILESCc1cc(Oc2cccc(N)c2C)ccc1C#N
InChIInChI=1S/C15H14N2O/c1-10-8-13(7-6-12(10)9-16)18-15-5-3-4-14(17)11(15)2/h3-8H,17H2,1-2H3
InChIKeyPCYXZQMNVYTCSW-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.55
Rot. Bonds2

About 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile

4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile (PubChem CID 81279070) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
PubChem CID81279070
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
SMILESCc1cc(Oc2cccc(N)c2C)ccc1C#N
InChIInChI=1S/C15H14N2O/c1-10-8-13(7-6-12(10)9-16)18-15-5-3-4-14(17)11(15)2/h3-8H,17H2,1-2H3
InChIKeyPCYXZQMNVYTCSW-UHFFFAOYSA-N
XLogP3.55
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.55
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-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
CID 114252551
4-[2-amino-4-(trifluoromethyl)phenoxy]-2-methylbenzonitrile
CID 82000455
2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036
5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321408
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641
2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile
CID 106485293
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
2-methyl-4-quinolin-5-yloxybenzonitrile
CID 103044749
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
2-methyl-4-pyrimidin-2-yloxybenzonitrile
CID 70098326

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile?
The IUPAC name of 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile (CID 81279070) is 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile.
What is the SMILES notation for 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile?
The canonical SMILES for 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile is Cc1cc(Oc2cccc(N)c2C)ccc1C#N.
What is the InChIKey of 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile?
The InChIKey is PCYXZQMNVYTCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-8-13(7-6-12(10)9-16)18-15-5-3-4-14(17)11(15)2/h3-8H,17H2,1-2H3.
What are the key properties of 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile?
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile is sourced from PubChem (CID 81279070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).