N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine

C17H22N2O2 — CID 43276444

IUPACN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2ccccn2)c(CNC(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-14-10-16(20-3)7-8-17(14)21-12-15-6-4-5-9-18-15/h4-10,13,19H,11-12H2,1-3H3
InChIKeyCVLHDSPXVRKNEJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds7

About N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 43276444) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID43276444
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2ccccn2)c(CNC(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-14-10-16(20-3)7-8-17(14)21-12-15-6-4-5-9-18-15/h4-10,13,19H,11-12H2,1-3H3
InChIKeyCVLHDSPXVRKNEJ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119129654
4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
CID 119122680
2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 119112492
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119108501
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 65364769
N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63019763
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
4-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,4-thiazepane
CID 75451679

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 43276444) is N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine is COc1ccc(OCc2ccccn2)c(CNC(C)C)c1.
What is the InChIKey of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is CVLHDSPXVRKNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)19-11-14-10-16(20-3)7-8-17(14)21-12-15-6-4-5-9-18-15/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43276444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).