3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine

C18H24N2O4 — CID 66526320

IUPAC3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(CNCCCOc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O4/c1-21-15-11-14(12-16(22-2)18(15)23-3)13-19-8-6-10-24-17-7-4-5-9-20-17/h4-5,7,9,11-12,19H,6,8,10,13H2,1-3H3
InChIKeyKDGNBXBGEJYPAU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.67
Rot. Bonds10

About 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine

3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 66526320) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID66526320
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(CNCCCOc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O4/c1-21-15-11-14(12-16(22-2)18(15)23-3)13-19-8-6-10-24-17-7-4-5-9-20-17/h4-5,7,9,11-12,19H,6,8,10,13H2,1-3H3
InChIKeyKDGNBXBGEJYPAU-UHFFFAOYSA-N
XLogP2.67
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]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

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526438
N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526705
N-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525914
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526025
N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526249
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 102536033
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526093
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine
CID 102536227
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526323

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine (CID 66526320) is 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine is COc1cc(CNCCCOc2ccccn2)cc(OC)c1OC.
What is the InChIKey of 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is KDGNBXBGEJYPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-21-15-11-14(12-16(22-2)18(15)23-3)13-19-8-6-10-24-17-7-4-5-9-20-17/h4-5,7,9,11-12,19H,6,8,10,13H2,1-3H3.
What are the key properties of 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 332.40 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 66526320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).