4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile

C17H26N2O2 — CID 64725224

IUPAC4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCOc1cc(C)ccc1OC(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)19-17(5,11-18)10-14(4)21-15-8-7-13(3)9-16(15)20-6/h7-9,12,14,19H,10H2,1-6H3
InChIKeyMQBKSCZEPVVAOF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.44
Rot. Bonds7

About 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile

4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64725224) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID64725224
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCOc1cc(C)ccc1OC(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)19-17(5,11-18)10-14(4)21-15-8-7-13(3)9-16(15)20-6/h7-9,12,14,19H,10H2,1-6H3
InChIKeyMQBKSCZEPVVAOF-UHFFFAOYSA-N
XLogP3.44
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725409
2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64854871
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64728224
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727805
1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene
CID 90705178
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 102983463
4-(4-methoxy-3-nitrophenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 103202171
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 64725224) is 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile is COc1cc(C)ccc1OC(C)CC(C)(C#N)NC(C)C.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is MQBKSCZEPVVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)19-17(5,11-18)10-14(4)21-15-8-7-13(3)9-16(15)20-6/h7-9,12,14,19H,10H2,1-6H3.
What are the key properties of 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 290.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64725224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).