N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine

C17H22N2O2 — CID 79232344

IUPACN-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine
SMILESCCCOc1ccc(OCc2cccc(NCC)n2)cc1
InChIInChI=1S/C17H22N2O2/c1-3-12-20-15-8-10-16(11-9-15)21-13-14-6-5-7-17(19-14)18-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeyPQYJJFLGSHOUMZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.88
Rot. Bonds8

About N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine

N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine (PubChem CID 79232344) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine
PubChem CID79232344
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine
SMILESCCCOc1ccc(OCc2cccc(NCC)n2)cc1
InChIInChI=1S/C17H22N2O2/c1-3-12-20-15-8-10-16(11-9-15)21-13-14-6-5-7-17(19-14)18-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeyPQYJJFLGSHOUMZ-UHFFFAOYSA-N
XLogP3.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231253
N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 79232071
N-ethyl-6-(naphthalen-2-yloxymethyl)pyridin-2-amine
CID 79231800
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
N-ethyl-6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239613
6-butoxy-N-ethylpyridin-2-amine
CID 80867318
[3-[[6-(propylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79238949
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
CID 107668066
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
CID 79243024
N-ethyl-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 79243084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine (CID 79232344) is N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine is CCCOc1ccc(OCc2cccc(NCC)n2)cc1.
What is the InChIKey of N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine?
The InChIKey is PQYJJFLGSHOUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-12-20-15-8-10-16(11-9-15)21-13-14-6-5-7-17(19-14)18-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine?
N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79232344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).