2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile

C16H25N3 — CID 84816523

IUPAC2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C16H25N3/c1-4-11-18-16(12-17)15-9-7-14(8-10-15)13-19(5-2)6-3/h7-10,16,18H,4-6,11,13H2,1-3H3
InChIKeyIARYJHWOAHWHNW-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.09
Rot. Bonds8

About 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile

2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile (PubChem CID 84816523) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile
PubChem CID84816523
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C16H25N3/c1-4-11-18-16(12-17)15-9-7-14(8-10-15)13-19(5-2)6-3/h7-10,16,18H,4-6,11,13H2,1-3H3
InChIKeyIARYJHWOAHWHNW-UHFFFAOYSA-N
XLogP3.09
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
2-[butyl(methyl)amino]-2-[4-(diethylaminomethyl)phenyl]acetonitrile
CID 84757721
2-[2-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]ethylamino]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 4253042
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019969
2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile
CID 43115252
2-[4-(diethylamino)phenyl]-2-[3-(dimethylamino)propylamino]acetonitrile
CID 84817292
N'-ethyl-1-(4-ethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63467155
2-(butylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816571

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile?
The IUPAC name of 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile (CID 84816523) is 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile?
The canonical SMILES for 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile is CCCNC(C#N)c1ccc(CN(CC)CC)cc1.
What is the InChIKey of 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile?
The InChIKey is IARYJHWOAHWHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-11-18-16(12-17)15-9-7-14(8-10-15)13-19(5-2)6-3/h7-10,16,18H,4-6,11,13H2,1-3H3.
What are the key properties of 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile?
2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile has a molecular weight of 259.40 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile is sourced from PubChem (CID 84816523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).