2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile

C16H24N2O — CID 115495209

IUPAC2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile
SMILESCCCNC(C)Cc1ccc(OC(C#N)CC)cc1
InChIInChI=1S/C16H24N2O/c1-4-10-18-13(3)11-14-6-8-16(9-7-14)19-15(5-2)12-17/h6-9,13,15,18H,4-5,10-11H2,1-3H3
InChIKeyBBORVPDRHHUJTK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.30
Rot. Bonds8

About 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile

2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile (PubChem CID 115495209) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile.

Molecular Properties

Compound Name2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile
PubChem CID115495209
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile
SMILESCCCNC(C)Cc1ccc(OC(C#N)CC)cc1
InChIInChI=1S/C16H24N2O/c1-4-10-18-13(3)11-14-6-8-16(9-7-14)19-15(5-2)12-17/h6-9,13,15,18H,4-5,10-11H2,1-3H3
InChIKeyBBORVPDRHHUJTK-UHFFFAOYSA-N
XLogP3.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxypropyl)phenoxy]butanenitrile
CID 115495721
2-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]butanenitrile
CID 107717983
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
CID 82262358
2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile
CID 115494683
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
N-propyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719580
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile?
The IUPAC name of 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile (CID 115495209) is 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile.
What is the SMILES notation for 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile?
The canonical SMILES for 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile is CCCNC(C)Cc1ccc(OC(C#N)CC)cc1.
What is the InChIKey of 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile?
The InChIKey is BBORVPDRHHUJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-10-18-13(3)11-14-6-8-16(9-7-14)19-15(5-2)12-17/h6-9,13,15,18H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile?
2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile is sourced from PubChem (CID 115495209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).