4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride

C19H20Cl2N2O — CID 44657868

IUPAC4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
SMILESCOc1ccc(NC(c2ccccc2)c2ccncc2)cc1.Cl.Cl
InChIInChI=1S/C19H18N2O.2ClH/c1-22-18-9-7-17(8-10-18)21-19(15-5-3-2-4-6-15)16-11-13-20-14-12-16;;/h2-14,19,21H,1H3;2*1H
InChIKeyRTJVIYOXKVATIC-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.14
Rot. Bonds5

About 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride

4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride (PubChem CID 44657868) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
PubChem CID44657868
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
SMILESCOc1ccc(NC(c2ccccc2)c2ccncc2)cc1.Cl.Cl
InChIInChI=1S/C19H18N2O.2ClH/c1-22-18-9-7-17(8-10-18)21-19(15-5-3-2-4-6-15)16-11-13-20-14-12-16;;/h2-14,19,21H,1H3;2*1H
InChIKeyRTJVIYOXKVATIC-UHFFFAOYSA-N
XLogP5.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;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

4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
4-methoxy-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1404002
4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine
CID 134706171
2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
CID 110902658
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
CID 45074849
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride?
The IUPAC name of 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride (CID 44657868) is 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride is COc1ccc(NC(c2ccccc2)c2ccncc2)cc1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride?
The InChIKey is RTJVIYOXKVATIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.2ClH/c1-22-18-9-7-17(8-10-18)21-19(15-5-3-2-4-6-15)16-11-13-20-14-12-16;;/h2-14,19,21H,1H3;2*1H.
What are the key properties of 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride?
4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride is sourced from PubChem (CID 44657868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).