N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

C15H18ClN3O — CID 103374829

IUPACN-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H18ClN3O/c1-3-9-17-15(11-5-4-6-12(16)10-11)13-7-8-14(20-2)19-18-13/h4-8,10,15,17H,3,9H2,1-2H3
InChIKeyYRZRHHYIPSOMTQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.23
Rot. Bonds6

About N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (PubChem CID 103374829) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
PubChem CID103374829
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H18ClN3O/c1-3-9-17-15(11-5-4-6-12(16)10-11)13-7-8-14(20-2)19-18-13/h4-8,10,15,17H,3,9H2,1-2H3
InChIKeyYRZRHHYIPSOMTQ-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 103374852
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 107560822
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374840
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (CID 103374829) is N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1ccc(OC)nn1.
What is the InChIKey of N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is YRZRHHYIPSOMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-9-17-15(11-5-4-6-12(16)10-11)13-7-8-14(20-2)19-18-13/h4-8,10,15,17H,3,9H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103374829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).