2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile

C12H16N2O — CID 60646378

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
SMILESCOc1ccccc1CN(C)C(C)C#N
InChIInChI=1S/C12H16N2O/c1-10(8-13)14(2)9-11-6-4-5-7-12(11)15-3/h4-7,10H,9H2,1-3H3
InChIKeyHDXDYPGFIUDOJE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.04
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile

2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile (PubChem CID 60646378) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
PubChem CID60646378
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
SMILESCOc1ccccc1CN(C)C(C)C#N
InChIInChI=1S/C12H16N2O/c1-10(8-13)14(2)9-11-6-4-5-7-12(11)15-3/h4-7,10H,9H2,1-3H3
InChIKeyHDXDYPGFIUDOJE-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60699813
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile (CID 60646378) is 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile is COc1ccccc1CN(C)C(C)C#N.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile?
The InChIKey is HDXDYPGFIUDOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(8-13)14(2)9-11-6-4-5-7-12(11)15-3/h4-7,10H,9H2,1-3H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile?
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile has a molecular weight of 204.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile is sourced from PubChem (CID 60646378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).