2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine

C15H22N4O — CID 115957641

IUPAC2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1ncnn1C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)19-14(17-10-18-19)9-20-15-12(3)5-4-6-13(15)7-8-16/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyYAHRVIWOBDRXCL-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.25
Rot. Bonds6

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

2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 115957641) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID115957641
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1ncnn1C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)19-14(17-10-18-19)9-20-15-12(3)5-4-6-13(15)7-8-16/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyYAHRVIWOBDRXCL-UHFFFAOYSA-N
XLogP2.25
TPSA65.96 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-bromo-3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 115962621
5-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1-propan-2-yl-1,2,4-triazole
CID 112613661
2-[3,5-difluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79881908
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614892
2-[3,5-dibromo-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107739678
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[3-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 112614987
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814
2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 79748978
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-3-methylphenyl]ethanamine
CID 115957600

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine (CID 115957641) is 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine is Cc1cccc(CCN)c1OCc1ncnn1C(C)C.
What is the InChIKey of 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is YAHRVIWOBDRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)19-14(17-10-18-19)9-20-15-12(3)5-4-6-13(15)7-8-16/h4-6,10-11H,7-9,16H2,1-3H3.
What are the key properties of 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 115957641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).