N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine

C14H17N3O — CID 56709928

IUPACN,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN(C)C)cc2)nn1
InChIInChI=1S/C14H17N3O/c1-11-4-9-14(16-15-11)18-13-7-5-12(6-8-13)10-17(2)3/h4-9H,10H2,1-3H3
InChIKeyBGWLHGMRBQSYAE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.64
Rot. Bonds4

About N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine

N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine (PubChem CID 56709928) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine
PubChem CID56709928
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN(C)C)cc2)nn1
InChIInChI=1S/C14H17N3O/c1-11-4-9-14(16-15-11)18-13-7-5-12(6-8-13)10-17(2)3/h4-9H,10H2,1-3H3
InChIKeyBGWLHGMRBQSYAE-UHFFFAOYSA-N
XLogP2.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine (CID 56709928) is N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine is Cc1ccc(Oc2ccc(CN(C)C)cc2)nn1.
What is the InChIKey of N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine?
The InChIKey is BGWLHGMRBQSYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-4-9-14(16-15-11)18-13-7-5-12(6-8-13)10-17(2)3/h4-9H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine?
N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine is sourced from PubChem (CID 56709928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).