N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride

C14H15ClFN3O — CID 19595270

IUPACN-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
SMILESCOc1ccc(F)c(C/C=N/Nc2ccncc2)c1.Cl
InChIInChI=1S/C14H14FN3O.ClH/c1-19-13-2-3-14(15)11(10-13)4-9-17-18-12-5-7-16-8-6-12;/h2-3,5-10H,4H2,1H3,(H,16,18);1H/b17-9+;
InChIKeyWVQDRXNGTHQJLB-WWIHJBQESA-N
MW295.75 g/mol
LogP3.29
Rot. Bonds5

About N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride

N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride (PubChem CID 19595270) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
PubChem CID19595270
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC NameN-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
SMILESCOc1ccc(F)c(C/C=N/Nc2ccncc2)c1.Cl
InChIInChI=1S/C14H14FN3O.ClH/c1-19-13-2-3-14(15)11(10-13)4-9-17-18-12-5-7-16-8-6-12;/h2-3,5-10H,4H2,1H3,(H,16,18);1H/b17-9+;
InChIKeyWVQDRXNGTHQJLB-WWIHJBQESA-N
XLogP3.29
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.29
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-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
CID 70106120
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
N'-[(2-fluoro-5-methoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 142265352
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
(2-fluoro-5-methoxyphenyl)methyl-dimethyl-propan-2-ylazanium
CID 170413478
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 58498098
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
The IUPAC name of N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride (CID 19595270) is N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride.
What is the SMILES notation for N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
The canonical SMILES for N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride is COc1ccc(F)c(C/C=N/Nc2ccncc2)c1.Cl.
What is the InChIKey of N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
The InChIKey is WVQDRXNGTHQJLB-WWIHJBQESA-N. The full InChI is InChI=1S/C14H14FN3O.ClH/c1-19-13-2-3-14(15)11(10-13)4-9-17-18-12-5-7-16-8-6-12;/h2-3,5-10H,4H2,1H3,(H,16,18);1H/b17-9+;.
What are the key properties of N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride?
N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride has a molecular weight of 295.75 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 19595270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).