N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine

C15H18ClN3O — CID 107560822

IUPACN-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H18ClN3O/c1-4-17-15(11-6-5-10(2)12(16)9-11)13-7-8-14(20-3)19-18-13/h5-9,15,17H,4H2,1-3H3
InChIKeyBNLNMTHBQGIBNX-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.15
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 107560822) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID107560822
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H18ClN3O/c1-4-17-15(11-6-5-10(2)12(16)9-11)13-7-8-14(20-3)19-18-13/h5-9,15,17H,4H2,1-3H3
InChIKeyBNLNMTHBQGIBNX-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 107560806
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374401
N-[(3-chloro-4-iodophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561723
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
[(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375610
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 107560822) is N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine is CCNC(c1ccc(C)c(Cl)c1)c1ccc(OC)nn1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is BNLNMTHBQGIBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-17-15(11-6-5-10(2)12(16)9-11)13-7-8-14(20-3)19-18-13/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 107560822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).