N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

C15H22N4O — CID 107451473

IUPACN-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-n2nncc2CNCC(C)C)cc1C
InChIInChI=1S/C15H22N4O/c1-11(2)8-16-9-14-10-17-18-19(14)13-5-6-15(20-4)12(3)7-13/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyUCAJARXXEYXQKO-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.33
Rot. Bonds6

About N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107451473) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID107451473
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-n2nncc2CNCC(C)C)cc1C
InChIInChI=1S/C15H22N4O/c1-11(2)8-16-9-14-10-17-18-19(14)13-5-6-15(20-4)12(3)7-13/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyUCAJARXXEYXQKO-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451095
N-[[3-(1-benzothiophen-5-yl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451670
N-[[3-(3-bromo-4-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451635
N-[[3-(3,5-dichloro-4-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107581582
N-[[3-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451944
N-[[3-(4-bromo-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451365
4-methyl-3-[5-[(2-methylpropylamino)methyl]triazol-1-yl]benzonitrile
CID 107451562
N-[[3-(4-fluoro-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451588
N-[[3-(2,6-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451689
N-[[3-(4-bromo-3-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107623895
N-[[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737032
N-[[3-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451411

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 107451473) is N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is COc1ccc(-n2nncc2CNCC(C)C)cc1C.
What is the InChIKey of N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UCAJARXXEYXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)8-16-9-14-10-17-18-19(14)13-5-6-15(20-4)12(3)7-13/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxy-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107451473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).