N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine

C14H20N4O — CID 107450996

IUPACN-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCCOc1ccc(-n2nncc2CNC(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-4-19-14-7-5-12(6-8-14)18-13(10-16-17-18)9-15-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyHLGUQBSUFJDBPE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds6

About N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine

N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 107450996) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID107450996
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCCOc1ccc(-n2nncc2CNC(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-4-19-14-7-5-12(6-8-14)18-13(10-16-17-18)9-15-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyHLGUQBSUFJDBPE-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
N-[[3-(4-bromo-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451365
N-[[3-(3-chloro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451022
N-[[3-(4-fluoro-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451588
N-[[3-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451944
N-[[3-(3-bromo-4-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451635
N-[[3-(2,3,4,5,6-pentafluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451826
2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine
CID 82199937
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451133
2-[3-(4-propoxyphenyl)triazol-4-yl]ethanamine
CID 112518516
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine (CID 107450996) is N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine is CCOc1ccc(-n2nncc2CNC(C)C)cc1.
What is the InChIKey of N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is HLGUQBSUFJDBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-19-14-7-5-12(6-8-14)18-13(10-16-17-18)9-15-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine?
N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107450996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).