1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine

C15H19N3O — CID 106834067

IUPAC1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESCCCOc1cccc(CNCc2cccnn2)c1
InChIInChI=1S/C15H19N3O/c1-2-9-19-15-7-3-5-13(10-15)11-16-12-14-6-4-8-17-18-14/h3-8,10,16H,2,9,11-12H2,1H3
InChIKeyQQJJKRKDCVWOIT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.56
Rot. Bonds7

About 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine

1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine (PubChem CID 106834067) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine
PubChem CID106834067
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESCCCOc1cccc(CNCc2cccnn2)c1
InChIInChI=1S/C15H19N3O/c1-2-9-19-15-7-3-5-13(10-15)11-16-12-14-6-4-8-17-18-14/h3-8,10,16H,2,9,11-12H2,1H3
InChIKeyQQJJKRKDCVWOIT-UHFFFAOYSA-N
XLogP2.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 60957658
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895704
4-[[(3-propoxyphenyl)methylamino]methyl]benzonitrile
CID 60957812
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 62539082
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine?
The IUPAC name of 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine (CID 106834067) is 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine is CCCOc1cccc(CNCc2cccnn2)c1.
What is the InChIKey of 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine?
The InChIKey is QQJJKRKDCVWOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-9-19-15-7-3-5-13(10-15)11-16-12-14-6-4-8-17-18-14/h3-8,10,16H,2,9,11-12H2,1H3.
What are the key properties of 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine?
1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine is sourced from PubChem (CID 106834067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).