3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride

C16H22Cl2N2O — CID 45074849

IUPAC3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
SMILESCOCCCNC(c1ccccc1)c1ccncc1.Cl.Cl
InChIInChI=1S/C16H20N2O.2ClH/c1-19-13-5-10-18-16(14-6-3-2-4-7-14)15-8-11-17-12-9-15;;/h2-4,6-9,11-12,16,18H,5,10,13H2,1H3;2*1H
InChIKeyZSYSLVZLWNANBV-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.64
Rot. Bonds7

About 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride

3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride (PubChem CID 45074849) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
PubChem CID45074849
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
SMILESCOCCCNC(c1ccccc1)c1ccncc1.Cl.Cl
InChIInChI=1S/C16H20N2O.2ClH/c1-19-13-5-10-18-16(14-6-3-2-4-7-14)15-8-11-17-12-9-15;;/h2-4,6-9,11-12,16,18H,5,10,13H2,1H3;2*1H
InChIKeyZSYSLVZLWNANBV-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride 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

3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7273099
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 60697579
3-methoxypropyl-[(S)-phenyl(pyridin-4-yl)methyl]azanium
CID 7016146
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
3-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 115971802
N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide
CID 77028617

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride (CID 45074849) is 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride is COCCCNC(c1ccccc1)c1ccncc1.Cl.Cl.
What is the InChIKey of 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride?
The InChIKey is ZSYSLVZLWNANBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.2ClH/c1-19-13-5-10-18-16(14-6-3-2-4-7-14)15-8-11-17-12-9-15;;/h2-4,6-9,11-12,16,18H,5,10,13H2,1H3;2*1H.
What are the key properties of 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride?
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 45074849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).