N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine

C14H17N3O — CID 114268555

IUPACN-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)nn1
InChIInChI=1S/C14H17N3O/c1-11(12-6-4-3-5-7-12)15-10-13-8-9-14(18-2)17-16-13/h3-9,11,15H,10H2,1-2H3
InChIKeyATYIWSSYHVDIIA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds5

About N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine

N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine (PubChem CID 114268555) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine
PubChem CID114268555
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)nn1
InChIInChI=1S/C14H17N3O/c1-11(12-6-4-3-5-7-12)15-10-13-8-9-14(18-2)17-16-13/h3-9,11,15H,10H2,1-2H3
InChIKeyATYIWSSYHVDIIA-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830398
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 114268584
3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol
CID 114268810
(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268609
(1S)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79033159
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine (CID 114268555) is N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine is COc1ccc(CNC(C)c2ccccc2)nn1.
What is the InChIKey of N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine?
The InChIKey is ATYIWSSYHVDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(12-6-4-3-5-7-12)15-10-13-8-9-14(18-2)17-16-13/h3-9,11,15H,10H2,1-2H3.
What are the key properties of N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine?
N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 114268555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).