[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine

C17H22N2O2 — CID 115981753

IUPAC[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCc2ncccc2C)c1
InChIInChI=1S/C17H22N2O2/c1-3-9-20-15-7-6-14(11-18)17(10-15)21-12-16-13(2)5-4-8-19-16/h4-8,10H,3,9,11-12,18H2,1-2H3
InChIKeyQGNKWZRRXFWTQG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.22
Rot. Bonds7

About [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine

[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine (PubChem CID 115981753) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine
PubChem CID115981753
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCc2ncccc2C)c1
InChIInChI=1S/C17H22N2O2/c1-3-9-20-15-7-6-14(11-18)17(10-15)21-12-16-13(2)5-4-8-19-16/h4-8,10H,3,9,11-12,18H2,1-2H3
InChIKeyQGNKWZRRXFWTQG-UHFFFAOYSA-N
XLogP3.22
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine
CID 60887454
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine?
The IUPAC name of [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine (CID 115981753) is [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OCc2ncccc2C)c1.
What is the InChIKey of [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine?
The InChIKey is QGNKWZRRXFWTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-9-20-15-7-6-14(11-18)17(10-15)21-12-16-13(2)5-4-8-19-16/h4-8,10H,3,9,11-12,18H2,1-2H3.
What are the key properties of [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine?
[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine is sourced from PubChem (CID 115981753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).