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

C15H22N4O — CID 103907028

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ncn(C)n2)cc1
InChIInChI=1S/C15H22N4O/c1-11(2)20-14-7-5-13(6-8-14)12(3)16-9-15-17-10-19(4)18-15/h5-8,10-12,16H,9H2,1-4H3
InChIKeyUSVRWBYOLYOWJW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.45
Rot. Bonds6

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

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 103907028) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID103907028
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ncn(C)n2)cc1
InChIInChI=1S/C15H22N4O/c1-11(2)20-14-7-5-13(6-8-14)12(3)16-9-15-17-10-19(4)18-15/h5-8,10-12,16H,9H2,1-4H3
InChIKeyUSVRWBYOLYOWJW-UHFFFAOYSA-N
XLogP2.45
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 115880292
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 80685309
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115897285
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 80681550
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
1-(2-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103882358

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine (CID 103907028) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)NCc2ncn(C)n2)cc1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is USVRWBYOLYOWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)20-14-7-5-13(6-8-14)12(3)16-9-15-17-10-19(4)18-15/h5-8,10-12,16H,9H2,1-4H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 103907028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).