4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine

C14H18N4O — CID 80508911

IUPAC4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine
SMILESCOc1ccc(CN(C)c2nnccc2CN)cc1
InChIInChI=1S/C14H18N4O/c1-18(14-12(9-15)7-8-16-17-14)10-11-3-5-13(19-2)6-4-11/h3-8H,9-10,15H2,1-2H3
InChIKeyQFHDLQINNNHBIN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.58
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine

4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine (PubChem CID 80508911) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine
PubChem CID80508911
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine
SMILESCOc1ccc(CN(C)c2nnccc2CN)cc1
InChIInChI=1S/C14H18N4O/c1-18(14-12(9-15)7-8-16-17-14)10-11-3-5-13(19-2)6-4-11/h3-8H,9-10,15H2,1-2H3
InChIKeyQFHDLQINNNHBIN-UHFFFAOYSA-N
XLogP1.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 80507368
4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 80507616
4-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 80507638
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61419921
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80507390
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methylpyridazin-3-amine
CID 80507556
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922
4-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridazin-3-amine
CID 80509129
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 80509001
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine (CID 80508911) is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine is COc1ccc(CN(C)c2nnccc2CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine?
The InChIKey is QFHDLQINNNHBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(14-12(9-15)7-8-16-17-14)10-11-3-5-13(19-2)6-4-11/h3-8H,9-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine?
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 80508911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).