N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine

C17H22N2O2 — CID 63985993

IUPACN-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCOCc1cccc(Oc2cc(CNC(C)C)ccn2)c1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-14-7-8-18-17(10-14)21-16-6-4-5-15(9-16)12-20-3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyRXKQUGFEVNEAOB-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.52
Rot. Bonds7

About N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine

N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 63985993) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
PubChem CID63985993
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCOCc1cccc(Oc2cc(CNC(C)C)ccn2)c1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-14-7-8-18-17(10-14)21-16-6-4-5-15(9-16)12-20-3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyRXKQUGFEVNEAOB-UHFFFAOYSA-N
XLogP3.52
TPSA43.38 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62296745
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
N-[[2-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 62288406
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 62288969

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine (CID 63985993) is N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine is COCc1cccc(Oc2cc(CNC(C)C)ccn2)c1.
What is the InChIKey of N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is RXKQUGFEVNEAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)19-11-14-7-8-18-17(10-14)21-16-6-4-5-15(9-16)12-20-3/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine?
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63985993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).