2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine

C14H15ClN2O — CID 79251583

IUPAC2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C14H15ClN2O/c1-2-16-12-6-7-17-13(9-12)10-18-14-5-3-4-11(15)8-14/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyYFTSVJKWAKOIOZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.75
Rot. Bonds5

About 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine

2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine (PubChem CID 79251583) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
PubChem CID79251583
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C14H15ClN2O/c1-2-16-12-6-7-17-13(9-12)10-18-14-5-3-4-11(15)8-14/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyYFTSVJKWAKOIOZ-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 116689899
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220
2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine
CID 79259695
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
CID 79259130
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148
4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
CID 79244238

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine (CID 79251583) is 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine is CCNc1ccnc(COc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine?
The InChIKey is YFTSVJKWAKOIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-16-12-6-7-17-13(9-12)10-18-14-5-3-4-11(15)8-14/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine?
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine is sourced from PubChem (CID 79251583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).