N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine

C15H22N4O — CID 106680815

IUPACN-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H22N4O/c1-5-6-16-15(12-9-17-19-18-12)14-11(3)7-10(2)8-13(14)20-4/h7-9,15-16H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyVOOFEDBPLPPKIN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.52
Rot. Bonds6

About N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine

N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine (PubChem CID 106680815) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
PubChem CID106680815
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H22N4O/c1-5-6-16-15(12-9-17-19-18-12)14-11(3)7-10(2)8-13(14)20-4/h7-9,15-16H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyVOOFEDBPLPPKIN-UHFFFAOYSA-N
XLogP2.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106682117
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 106680685
N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114730277
4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106682449
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
[(2,6-dimethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 107504825
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 106680796
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine (CID 106680815) is N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine is CCCNC(c1cn[nH]n1)c1c(C)cc(C)cc1OC.
What is the InChIKey of N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The InChIKey is VOOFEDBPLPPKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-6-16-15(12-9-17-19-18-12)14-11(3)7-10(2)8-13(14)20-4/h7-9,15-16H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 106680815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).