[5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine

C16H24N4O — CID 82209200

IUPAC[5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
SMILESCc1ccc(OCCn2nnc(CN)c2C(C)(C)C)cc1
InChIInChI=1S/C16H24N4O/c1-12-5-7-13(8-6-12)21-10-9-20-15(16(2,3)4)14(11-17)18-19-20/h5-8H,9-11,17H2,1-4H3
InChIKeyWOQWEFQWSYMUMY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds5

About [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine

[5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 82209200) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
PubChem CID82209200
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
SMILESCc1ccc(OCCn2nnc(CN)c2C(C)(C)C)cc1
InChIInChI=1S/C16H24N4O/c1-12-5-7-13(8-6-12)21-10-9-20-15(16(2,3)4)14(11-17)18-19-20/h5-8H,9-11,17H2,1-4H3
InChIKeyWOQWEFQWSYMUMY-UHFFFAOYSA-N
XLogP2.42
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-tert-butyl-1-[4-(4-methylphenoxy)butyl]triazol-4-yl]methanamine
CID 94945312
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazole-4-carbonitrile
CID 82209240
[5-tert-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203357
1-[2-(4-methylphenoxy)ethyl]-5-propan-2-yltriazole-4-carbaldehyde
CID 82209164
3-[5-methyl-1-[4-(4-methylphenoxy)butyl]triazol-4-yl]propan-1-ol
CID 82209802
[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 82209124
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
1-[3-(4-methylphenoxy)propyl]-5-(trifluoromethyl)triazole-4-carbonitrile
CID 94945125
[5-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methanamine
CID 82204281
1-[2-(4-methylphenoxy)ethyl]-5-pyridin-4-yltriazole-4-carbonitrile
CID 82209185

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine (CID 82209200) is [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine is Cc1ccc(OCCn2nnc(CN)c2C(C)(C)C)cc1.
What is the InChIKey of [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is WOQWEFQWSYMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-5-7-13(8-6-12)21-10-9-20-15(16(2,3)4)14(11-17)18-19-20/h5-8H,9-11,17H2,1-4H3.
What are the key properties of [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
[5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).