3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile

C16H24N2O — CID 116955693

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile
SMILESCNC(c1ccc(OC)c(C(C)C)c1)C(C)(C)C#N
InChIInChI=1S/C16H24N2O/c1-11(2)13-9-12(7-8-14(13)19-6)15(18-5)16(3,4)10-17/h7-9,11,15,18H,1-6H3
InChIKeyJUQIIMJIZJFIES-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.63
Rot. Bonds5

About 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile

3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile (PubChem CID 116955693) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile
PubChem CID116955693
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile
SMILESCNC(c1ccc(OC)c(C(C)C)c1)C(C)(C)C#N
InChIInChI=1S/C16H24N2O/c1-11(2)13-9-12(7-8-14(13)19-6)15(18-5)16(3,4)10-17/h7-9,11,15,18H,1-6H3
InChIKeyJUQIIMJIZJFIES-UHFFFAOYSA-N
XLogP3.63
TPSA45.05 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
2-[(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methyl]butanenitrile
CID 116960530
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)propanenitrile
CID 116909895
2,2-dimethyl-3-(methylamino)-3-(4-propan-2-ylsulfanylphenyl)propanenitrile
CID 116955745
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
2-(4-methoxy-3-propan-2-ylphenyl)-3-oxobutanenitrile
CID 82115825
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954007
3-amino-3-(5-bromo-2-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940373
3-amino-3-(2,5-dimethoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940352
3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953316

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile (CID 116955693) is 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile is CNC(c1ccc(OC)c(C(C)C)c1)C(C)(C)C#N.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile?
The InChIKey is JUQIIMJIZJFIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)13-9-12(7-8-14(13)19-6)15(18-5)16(3,4)10-17/h7-9,11,15,18H,1-6H3.
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile?
3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile is sourced from PubChem (CID 116955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).