4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile

C18H26N2O — CID 107667842

IUPAC4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile
SMILESCCC(C)c1ccc(OCCC(C)(C#N)NC2CC2)cc1
InChIInChI=1S/C18H26N2O/c1-4-14(2)15-5-9-17(10-6-15)21-12-11-18(3,13-19)20-16-7-8-16/h5-6,9-10,14,16,20H,4,7-8,11-12H2,1-3H3
InChIKeyHTSGMNRSTKGCMA-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.00
Rot. Bonds8

About 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile

4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile (PubChem CID 107667842) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile
PubChem CID107667842
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile
SMILESCCC(C)c1ccc(OCCC(C)(C#N)NC2CC2)cc1
InChIInChI=1S/C18H26N2O/c1-4-14(2)15-5-9-17(10-6-15)21-12-11-18(3,13-19)20-16-7-8-16/h5-6,9-10,14,16,20H,4,7-8,11-12H2,1-3H3
InChIKeyHTSGMNRSTKGCMA-UHFFFAOYSA-N
XLogP4.00
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
CID 62549087
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
5-(4-butan-2-ylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 107667825
2-amino-5-(4-butan-2-ylphenoxy)-2-ethylpentanenitrile
CID 107667835
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 107667823
methyl 2-amino-4-(4-butan-2-ylphenoxy)-2-methylbutanoate
CID 107667958
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
3-(4-butan-2-ylphenoxy)-2-(methylamino)propanenitrile
CID 107667837

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile?
The IUPAC name of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile (CID 107667842) is 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile is CCC(C)c1ccc(OCCC(C)(C#N)NC2CC2)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile?
The InChIKey is HTSGMNRSTKGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-14(2)15-5-9-17(10-6-15)21-12-11-18(3,13-19)20-16-7-8-16/h5-6,9-10,14,16,20H,4,7-8,11-12H2,1-3H3.
What are the key properties of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile?
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile has a molecular weight of 286.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile is sourced from PubChem (CID 107667842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).