2-methyl-4-phenoxy-2-(propylamino)pentanenitrile

C15H22N2O — CID 64725209

IUPAC2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)Oc1ccccc1
InChIInChI=1S/C15H22N2O/c1-4-10-17-15(3,12-16)11-13(2)18-14-8-6-5-7-9-14/h5-9,13,17H,4,10-11H2,1-3H3
InChIKeyYYEFWXBKYHQBPO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.13
Rot. Bonds7

About 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile

2-methyl-4-phenoxy-2-(propylamino)pentanenitrile (PubChem CID 64725209) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
PubChem CID64725209
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)Oc1ccccc1
InChIInChI=1S/C15H22N2O/c1-4-10-17-15(3,12-16)11-13(2)18-14-8-6-5-7-9-14/h5-9,13,17H,4,10-11H2,1-3H3
InChIKeyYYEFWXBKYHQBPO-UHFFFAOYSA-N
XLogP3.13
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-propan-2-ylphenoxy)-2-(propylamino)pentanenitrile
CID 64727995
2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
CID 64727839
2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727805
4-benzylsulfanyl-2-methyl-2-(propylamino)pentanenitrile
CID 64710160
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
2-methyl-4-(2-methylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711154
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
4,4-dimethylhexan-2-yloxybenzene
CID 143103780
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 107667823
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentanenitrile
CID 64699136
4-(3,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile (CID 64725209) is 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)Oc1ccccc1.
What is the InChIKey of 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile?
The InChIKey is YYEFWXBKYHQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-10-17-15(3,12-16)11-13(2)18-14-8-6-5-7-9-14/h5-9,13,17H,4,10-11H2,1-3H3.
What are the key properties of 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile?
2-methyl-4-phenoxy-2-(propylamino)pentanenitrile has a molecular weight of 246.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenoxy-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64725209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).