2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile

C16H25N3O — CID 61005956

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
SMILESCCOc1ccc(C(C#N)NCCN(CC)CC)cc1
InChIInChI=1S/C16H25N3O/c1-4-19(5-2)12-11-18-16(13-17)14-7-9-15(10-8-14)20-6-3/h7-10,16,18H,4-6,11-12H2,1-3H3
InChIKeyQWMSKRVLNSSSGF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.58
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile

2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile (PubChem CID 61005956) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
PubChem CID61005956
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
SMILESCCOc1ccc(C(C#N)NCCN(CC)CC)cc1
InChIInChI=1S/C16H25N3O/c1-4-19(5-2)12-11-18-16(13-17)14-7-9-15(10-8-14)20-6-3/h7-10,16,18H,4-6,11-12H2,1-3H3
InChIKeyQWMSKRVLNSSSGF-UHFFFAOYSA-N
XLogP2.58
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylamino)-2-(4-ethoxyphenyl)acetonitrile
CID 82019956
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937329
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824
2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019969
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile
CID 84816523
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile (CID 61005956) is 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile is CCOc1ccc(C(C#N)NCCN(CC)CC)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile?
The InChIKey is QWMSKRVLNSSSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(5-2)12-11-18-16(13-17)14-7-9-15(10-8-14)20-6-3/h7-10,16,18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile?
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile has a molecular weight of 275.40 g/mol, XLogP of 2.58, 9 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-(4-ethoxyphenyl)acetonitrile is sourced from PubChem (CID 61005956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).