2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile

C16H24N2O — CID 64725441

IUPAC2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
SMILESCc1ccc(C(C)C)cc1OC(C)CC(C)(N)C#N
InChIInChI=1S/C16H24N2O/c1-11(2)14-7-6-12(3)15(8-14)19-13(4)9-16(5,18)10-17/h6-8,11,13H,9,18H2,1-5H3
InChIKeyCDPRTQZHNFSWRL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.52
Rot. Bonds5

About 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile

2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile (PubChem CID 64725441) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
PubChem CID64725441
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
SMILESCc1ccc(C(C)C)cc1OC(C)CC(C)(N)C#N
InChIInChI=1S/C16H24N2O/c1-11(2)14-7-6-12(3)15(8-14)19-13(4)9-16(5,18)10-17/h6-8,11,13H,9,18H2,1-5H3
InChIKeyCDPRTQZHNFSWRL-UHFFFAOYSA-N
XLogP3.52
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile 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

2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile
CID 64727389
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 102983463
3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 114358206
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110625
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile (CID 64725441) is 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile is Cc1ccc(C(C)C)cc1OC(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile?
The InChIKey is CDPRTQZHNFSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)14-7-6-12(3)15(8-14)19-13(4)9-16(5,18)10-17/h6-8,11,13H,9,18H2,1-5H3.
What are the key properties of 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile?
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile is sourced from PubChem (CID 64725441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).