(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine

C13H14ClN3O2 — CID 103373770

IUPAC(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(OC)c2)nn1
InChIInChI=1S/C13H14ClN3O2/c1-18-11-7-8(3-4-9(11)14)13(15)10-5-6-12(19-2)17-16-10/h3-7,13H,15H2,1-2H3
InChIKeyHZEIOZWOFRCRDJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.20
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine

(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine (PubChem CID 103373770) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
PubChem CID103373770
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(OC)c2)nn1
InChIInChI=1S/C13H14ClN3O2/c1-18-11-7-8(3-4-9(11)14)13(15)10-5-6-12(19-2)17-16-10/h3-7,13H,15H2,1-2H3
InChIKeyHZEIOZWOFRCRDJ-UHFFFAOYSA-N
XLogP2.20
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375610
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 79699404
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methoxypyridazin-3-yl)methanamine
CID 103373906
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084
1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(6-methoxypyridazin-3-yl)-thiophen-3-ylmethanamine
CID 103373837
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105164625

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine (CID 103373770) is (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine is COc1ccc(C(N)c2ccc(Cl)c(OC)c2)nn1.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
The InChIKey is HZEIOZWOFRCRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-18-11-7-8(3-4-9(11)14)13(15)10-5-6-12(19-2)17-16-10/h3-7,13H,15H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine has a molecular weight of 279.73 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine is sourced from PubChem (CID 103373770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).