1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine

C16H24N4O2 — CID 131951323

IUPAC1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCCn1cnnc1CNCc1ccc(OC)c(COC)c1
InChIInChI=1S/C16H24N4O2/c1-4-7-20-12-18-19-16(20)10-17-9-13-5-6-15(22-3)14(8-13)11-21-2/h5-6,8,12,17H,4,7,9-11H2,1-3H3
InChIKeyFFLYEGGWJIJSNE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds9

About 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine

1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 131951323) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID131951323
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCCn1cnnc1CNCc1ccc(OC)c(COC)c1
InChIInChI=1S/C16H24N4O2/c1-4-7-20-12-18-19-16(20)10-17-9-13-5-6-15(22-3)14(8-13)11-21-2/h5-6,8,12,17H,4,7,9-11H2,1-3H3
InChIKeyFFLYEGGWJIJSNE-UHFFFAOYSA-N
XLogP2.13
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113232249
N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine
CID 62016883
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine
CID 111512240
N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine
CID 63219762
N-[[4-methoxy-3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 66276951
N-[[3-(2-butoxyethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62017074
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111201375
2-methoxy-4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzonitrile
CID 106787489
3-[(3,4-dichlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113301298

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 131951323) is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine is CCCn1cnnc1CNCc1ccc(OC)c(COC)c1.
What is the InChIKey of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is FFLYEGGWJIJSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-7-20-12-18-19-16(20)10-17-9-13-5-6-15(22-3)14(8-13)11-21-2/h5-6,8,12,17H,4,7,9-11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 304.39 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 131951323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).