[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine

C15H22N4O — CID 82200710

IUPAC[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)c1CC(C)C
InChIInChI=1S/C15H22N4O/c1-10(2)7-13-12(9-16)17-18-19(13)14-8-11(3)5-6-15(14)20-4/h5-6,8,10H,7,9,16H2,1-4H3
InChIKeyCTDKHYPEAPTMDL-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.24
Rot. Bonds5

About [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine

[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine (PubChem CID 82200710) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
PubChem CID82200710
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)c1CC(C)C
InChIInChI=1S/C15H22N4O/c1-10(2)7-13-12(9-16)17-18-19(13)14-8-11(3)5-6-15(14)20-4/h5-6,8,10H,7,9,16H2,1-4H3
InChIKeyCTDKHYPEAPTMDL-UHFFFAOYSA-N
XLogP2.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 82200668
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092
[1-(4-methoxy-3-nitrophenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82197419
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
CID 82195870
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
CID 139023294
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 82285789
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine (CID 82200710) is [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine is COc1ccc(C)cc1-n1nnc(CN)c1CC(C)C.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine?
The InChIKey is CTDKHYPEAPTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)7-13-12(9-16)17-18-19(13)14-8-11(3)5-6-15(14)20-4/h5-6,8,10H,7,9,16H2,1-4H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine?
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82200710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).