4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile

C15H15N3O — CID 62465648

IUPAC4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
SMILESCCNc1cc(COc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C15H15N3O/c1-2-17-15-9-13(7-8-18-15)11-19-14-5-3-12(10-16)4-6-14/h3-9H,2,11H2,1H3,(H,17,18)
InChIKeyAJDLTJZMOGGQIP-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.96
Rot. Bonds5

About 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile

4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile (PubChem CID 62465648) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
PubChem CID62465648
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
SMILESCCNc1cc(COc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C15H15N3O/c1-2-17-15-9-13(7-8-18-15)11-19-14-5-3-12(10-16)4-6-14/h3-9H,2,11H2,1H3,(H,17,18)
InChIKeyAJDLTJZMOGGQIP-UHFFFAOYSA-N
XLogP2.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725685
4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile
CID 113367461
4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810
4-[(4-ethoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464065
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63889419
N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine
CID 103290176
4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466550
3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
CID 62981075
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile (CID 62465648) is 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile is CCNc1cc(COc2ccc(C#N)cc2)ccn1.
What is the InChIKey of 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile?
The InChIKey is AJDLTJZMOGGQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-17-15-9-13(7-8-18-15)11-19-14-5-3-12(10-16)4-6-14/h3-9H,2,11H2,1H3,(H,17,18).
What are the key properties of 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile?
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 62465648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).