3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile

C14H20N2O — CID 64605677

IUPAC3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
SMILESCOCCC(C)NCC(C#N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(8-9-17-2)16-11-14(10-15)13-6-4-3-5-7-13/h3-7,12,14,16H,8-9,11H2,1-2H3
InChIKeyQBZABOXMDHZCPX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.31
Rot. Bonds7

About 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile

3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile (PubChem CID 64605677) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
PubChem CID64605677
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
SMILESCOCCC(C)NCC(C#N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(8-9-17-2)16-11-14(10-15)13-6-4-3-5-7-13/h3-7,12,14,16H,8-9,11H2,1-2H3
InChIKeyQBZABOXMDHZCPX-UHFFFAOYSA-N
XLogP2.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904
3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile
CID 64535813
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81368483
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81355239
3-(1,3-dihydroxypropan-2-ylamino)-2-phenylpropanenitrile
CID 65313203
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile
CID 64536611
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81365300
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile (CID 64605677) is 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile is COCCC(C)NCC(C#N)c1ccccc1.
What is the InChIKey of 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile?
The InChIKey is QBZABOXMDHZCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(8-9-17-2)16-11-14(10-15)13-6-4-3-5-7-13/h3-7,12,14,16H,8-9,11H2,1-2H3.
What are the key properties of 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile?
3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 64605677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).