N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

C14H20N4O — CID 78925500

IUPACN-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-n2ncc(CNCC(C)C)n2)cc1
InChIInChI=1S/C14H20N4O/c1-11(2)8-15-9-12-10-16-18(17-12)13-4-6-14(19-3)7-5-13/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyNXRXXZQBSXWLSU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.02
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 78925500) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID78925500
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-n2ncc(CNCC(C)C)n2)cc1
InChIInChI=1S/C14H20N4O/c1-11(2)8-15-9-12-10-16-18(17-12)13-4-6-14(19-3)7-5-13/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyNXRXXZQBSXWLSU-UHFFFAOYSA-N
XLogP2.02
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 78925519
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
2-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 78925514
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
N-[[1-(3-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82527947
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106554623

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 78925500) is N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is COc1ccc(-n2ncc(CNCC(C)C)n2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NXRXXZQBSXWLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)8-15-9-12-10-16-18(17-12)13-4-6-14(19-3)7-5-13/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 78925500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).