2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile

C13H18N2O — CID 115494683

IUPAC2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile
SMILESCNC(C)Cc1ccc(OC(C)C#N)cc1
InChIInChI=1S/C13H18N2O/c1-10(15-3)8-12-4-6-13(7-5-12)16-11(2)9-14/h4-7,10-11,15H,8H2,1-3H3
InChIKeyRXEBIRHCGRJDIH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile

2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile (PubChem CID 115494683) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile.

Molecular Properties

Compound Name2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile
PubChem CID115494683
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile
SMILESCNC(C)Cc1ccc(OC(C)C#N)cc1
InChIInChI=1S/C13H18N2O/c1-10(15-3)8-12-4-6-13(7-5-12)16-11(2)9-14/h4-7,10-11,15H,8H2,1-3H3
InChIKeyRXEBIRHCGRJDIH-UHFFFAOYSA-N
XLogP2.13
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-hydroxyethylamino)methyl]phenoxy]propanenitrile
CID 111421582
2-[4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]phenoxy]propanenitrile
CID 110932891
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile
CID 115495209
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
CID 83035105
2-[4-(3-hydroxyiminobutyl)phenoxy]propanenitrile
CID 76915200
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
N-methyl-1-phenylpropan-2-amine
CID 118309477

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile?
The IUPAC name of 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile (CID 115494683) is 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile.
What is the SMILES notation for 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile?
The canonical SMILES for 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile is CNC(C)Cc1ccc(OC(C)C#N)cc1.
What is the InChIKey of 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile?
The InChIKey is RXEBIRHCGRJDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(15-3)8-12-4-6-13(7-5-12)16-11(2)9-14/h4-7,10-11,15H,8H2,1-3H3.
What are the key properties of 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile?
2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile has a molecular weight of 218.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)propyl]phenoxy]propanenitrile is sourced from PubChem (CID 115494683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).