6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

C19H18ClN3O2 — CID 139521789

IUPAC6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(COc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-24-17-8-5-14(6-9-17)12-21-19-10-7-16(22-23-19)13-25-18-4-2-3-15(20)11-18/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyJWWSVSRXEJVKSQ-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.33
Rot. Bonds7

About 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 139521789) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
PubChem CID139521789
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(COc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-24-17-8-5-14(6-9-17)12-21-19-10-7-16(22-23-19)13-25-18-4-2-3-15(20)11-18/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyJWWSVSRXEJVKSQ-UHFFFAOYSA-N
XLogP4.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
1-[[2-(3-chlorophenoxy)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9478901
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 53073303
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (CID 139521789) is 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is COc1ccc(CNc2ccc(COc3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is JWWSVSRXEJVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-24-17-8-5-14(6-9-17)12-21-19-10-7-16(22-23-19)13-25-18-4-2-3-15(20)11-18/h2-11H,12-13H2,1H3,(H,21,23).
What are the key properties of 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine has a molecular weight of 355.83 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 139521789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).