N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride

C15H18ClN3O — CID 70106120

IUPACN-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
SMILESCOc1ccc(CC=NNc2ccncc2)cc1C.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-12-11-13(3-4-15(12)19-2)5-10-17-18-14-6-8-16-9-7-14;/h3-4,6-11H,5H2,1-2H3,(H,16,18);1H
InChIKeyOPZUSDLNZWVZQC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride

N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride (PubChem CID 70106120) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
PubChem CID70106120
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
SMILESCOc1ccc(CC=NNc2ccncc2)cc1C.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-12-11-13(3-4-15(12)19-2)5-10-17-18-14-6-8-16-9-7-14;/h3-4,6-11H,5H2,1-2H3,(H,16,18);1H
InChIKeyOPZUSDLNZWVZQC-UHFFFAOYSA-N
XLogP3.46
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine
CID 70105498
N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
CID 19595270
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100559042
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691288
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
The IUPAC name of N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride (CID 70106120) is N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
The canonical SMILES for N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride is COc1ccc(CC=NNc2ccncc2)cc1C.Cl.
What is the InChIKey of N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
The InChIKey is OPZUSDLNZWVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-12-11-13(3-4-15(12)19-2)5-10-17-18-14-6-8-16-9-7-14;/h3-4,6-11H,5H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 70106120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).