2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile

C15H23N3O — CID 54889441

IUPAC2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccccc1OC
InChIInChI=1S/C15H23N3O/c1-4-18(5-2)11-10-17-14(12-16)13-8-6-7-9-15(13)19-3/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyYTNFDDZRRYFWKZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.19
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile

2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile (PubChem CID 54889441) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
PubChem CID54889441
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccccc1OC
InChIInChI=1S/C15H23N3O/c1-4-18(5-2)11-10-17-14(12-16)13-8-6-7-9-15(13)19-3/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyYTNFDDZRRYFWKZ-UHFFFAOYSA-N
XLogP2.19
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889204
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 43194008
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937329
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
2-(2-ethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 62586976
N-[cyano-(2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 112511056
2-[cyano-[2-(dimethylamino)ethylamino]methyl]benzonitrile
CID 114017997

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile (CID 54889441) is 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile is CCN(CC)CCNC(C#N)c1ccccc1OC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
The InChIKey is YTNFDDZRRYFWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-18(5-2)11-10-17-14(12-16)13-8-6-7-9-15(13)19-3/h6-9,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile has a molecular weight of 261.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile is sourced from PubChem (CID 54889441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).