1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

C17H20N4O — CID 75382722

IUPAC1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2nncn2C)c2ccccc12
InChIInChI=1S/C17H20N4O/c1-12(18-10-17-20-19-11-21(17)2)13-8-9-16(22-3)15-7-5-4-6-14(13)15/h4-9,11-12,18H,10H2,1-3H3
InChIKeyURUCHUXSWOOMKT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 75382722) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID75382722
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2nncn2C)c2ccccc12
InChIInChI=1S/C17H20N4O/c1-12(18-10-17-20-19-11-21(17)2)13-8-9-16(22-3)15-7-5-4-6-14(13)15/h4-9,11-12,18H,10H2,1-3H3
InChIKeyURUCHUXSWOOMKT-UHFFFAOYSA-N
XLogP2.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895459
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54895413
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-naphthalen-1-ylethanamine
CID 63329032
1-(3-methyl-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004429
1-(3-methyl-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004796
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
CID 54896093
1-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895512
3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 97230706
(1R)-1-(5-bromo-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 97230007
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54896039
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 103777622

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 75382722) is 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is COc1ccc(C(C)NCc2nncn2C)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is URUCHUXSWOOMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(18-10-17-20-19-11-21(17)2)13-8-9-16(22-3)15-7-5-4-6-14(13)15/h4-9,11-12,18H,10H2,1-3H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 296.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 75382722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).