N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine

C17H23N3 — CID 105188044

IUPACN-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H23N3/c1-4-18-17(16-8-9-19-20-12-16)15-7-5-6-14(11-15)10-13(2)3/h5-9,11-13,17-18H,4,10H2,1-3H3
InChIKeyXWWRWDGDYSYIGE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.37
Rot. Bonds6

About N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine

N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine (PubChem CID 105188044) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
PubChem CID105188044
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H23N3/c1-4-18-17(16-8-9-19-20-12-16)15-7-5-6-14(11-15)10-13(2)3/h5-9,11-13,17-18H,4,10H2,1-3H3
InChIKeyXWWRWDGDYSYIGE-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105188541
N-[(3-fluoro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544944
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544290
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768
N-ethyl-3-methyl-1-pyridazin-4-ylbutan-1-amine
CID 105082936
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine?
The IUPAC name of N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine (CID 105188044) is N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine is CCNC(c1ccnnc1)c1cccc(CC(C)C)c1.
What is the InChIKey of N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine?
The InChIKey is XWWRWDGDYSYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-18-17(16-8-9-19-20-12-16)15-7-5-6-14(11-15)10-13(2)3/h5-9,11-13,17-18H,4,10H2,1-3H3.
What are the key properties of N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine?
N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine is sourced from PubChem (CID 105188044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).