N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride

C13H21Cl2N3O2 — CID 141346456

IUPACN-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
SMILESCOc1ccc(CONC2=NCCCC2)cc1N.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-17-12-6-5-10(8-11(12)14)9-18-16-13-4-2-3-7-15-13;;/h5-6,8H,2-4,7,9,14H2,1H3,(H,15,16);2*1H
InChIKeyKKOVZUVGZAOVBB-UHFFFAOYSA-N
MW322.24 g/mol
LogP2.72
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride

N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride (PubChem CID 141346456) has the molecular formula C13H21Cl2N3O2 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
PubChem CID141346456
Molecular FormulaC13H21Cl2N3O2
Molecular Weight322.24 g/mol
Exact Mass321.10
IUPAC NameN-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
SMILESCOc1ccc(CONC2=NCCCC2)cc1N.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-17-12-6-5-10(8-11(12)14)9-18-16-13-4-2-3-7-15-13;;/h5-6,8H,2-4,7,9,14H2,1H3,(H,15,16);2*1H
InChIKeyKKOVZUVGZAOVBB-UHFFFAOYSA-N
XLogP2.72
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508443
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
CID 28557381
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol
CID 146161521
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428438
5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline
CID 43094706
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline
CID 82474391
2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline
CID 174463827

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride (CID 141346456) is N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride is COc1ccc(CONC2=NCCCC2)cc1N.Cl.Cl.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
The InChIKey is KKOVZUVGZAOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.2ClH/c1-17-12-6-5-10(8-11(12)14)9-18-16-13-4-2-3-7-15-13;;/h5-6,8H,2-4,7,9,14H2,1H3,(H,15,16);2*1H.
What are the key properties of N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride is sourced from PubChem (CID 141346456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).