N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine

C14H20N4O — CID 66206682

IUPACN-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2ccc(OC(C)C)cc2)nn1
InChIInChI=1S/C14H20N4O/c1-4-15-9-12-10-18(17-16-12)13-5-7-14(8-6-13)19-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyLPVWIRDCYVAZIQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds6

About N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine

N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66206682) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine
PubChem CID66206682
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2ccc(OC(C)C)cc2)nn1
InChIInChI=1S/C14H20N4O/c1-4-15-9-12-10-18(17-16-12)13-5-7-14(8-6-13)19-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyLPVWIRDCYVAZIQ-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine (CID 66206682) is N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2ccc(OC(C)C)cc2)nn1.
What is the InChIKey of N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is LPVWIRDCYVAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-15-9-12-10-18(17-16-12)13-5-7-14(8-6-13)19-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine 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-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66206682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).