2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile

C16H17N3O — CID 62464232

IUPAC2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile
SMILESCCNc1ncccc1COc1ccc(CC#N)cc1
InChIInChI=1S/C16H17N3O/c1-2-18-16-14(4-3-11-19-16)12-20-15-7-5-13(6-8-15)9-10-17/h3-8,11H,2,9,12H2,1H3,(H,18,19)
InChIKeyFOFJPPDZHKBCNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.16
Rot. Bonds6

About 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile

2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile (PubChem CID 62464232) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile
PubChem CID62464232
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile
SMILESCCNc1ncccc1COc1ccc(CC#N)cc1
InChIInChI=1S/C16H17N3O/c1-2-18-16-14(4-3-11-19-16)12-20-15-7-5-13(6-8-15)9-10-17/h3-8,11H,2,9,12H2,1H3,(H,18,19)
InChIKeyFOFJPPDZHKBCNZ-UHFFFAOYSA-N
XLogP3.16
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 112650342
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
CID 55075630
2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
CID 18069564
N-ethyl-3-[(2-propoxyphenoxy)methyl]pyridin-2-amine
CID 62465153
3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
CID 62464085
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine
CID 66224548
3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 62464965
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
CID 62465917
3-[(3-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62465500
3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine
CID 82831980

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile (CID 62464232) is 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile is CCNc1ncccc1COc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile?
The InChIKey is FOFJPPDZHKBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-18-16-14(4-3-11-19-16)12-20-15-7-5-13(6-8-15)9-10-17/h3-8,11H,2,9,12H2,1H3,(H,18,19).
What are the key properties of 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile?
2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile is sourced from PubChem (CID 62464232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).