2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine

C16H20N2O2 — CID 54803190

IUPAC2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCOc1ccc(OC(C)CNCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O2/c1-13(10-18-12-14-4-3-9-17-11-14)20-16-7-5-15(19-2)6-8-16/h3-9,11,13,18H,10,12H2,1-2H3
InChIKeyKCNYDLBNHNMKRU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine

2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 54803190) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID54803190
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCOc1ccc(OC(C)CNCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O2/c1-13(10-18-12-14-4-3-9-17-11-14)20-16-7-5-15(19-2)6-8-16/h3-9,11,13,18H,10,12H2,1-2H3
InChIKeyKCNYDLBNHNMKRU-UHFFFAOYSA-N
XLogP2.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803196
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
CID 43242702
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
CID 62583823
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 28671880

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine (CID 54803190) is 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine is COc1ccc(OC(C)CNCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is KCNYDLBNHNMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13(10-18-12-14-4-3-9-17-11-14)20-16-7-5-15(19-2)6-8-16/h3-9,11,13,18H,10,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine?
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 54803190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).