1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine

C12H16N4O — CID 107048287

IUPAC1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cn(C)nn2)cc1
InChIInChI=1S/C12H16N4O/c1-16-8-10(14-15-16)7-12(13)9-3-5-11(17-2)6-4-9/h3-6,8,12H,7,13H2,1-2H3
InChIKeySABIWTLHCPAREL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.07
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107048287) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107048287
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cn(C)nn2)cc1
InChIInChI=1S/C12H16N4O/c1-16-8-10(14-15-16)7-12(13)9-3-5-11(17-2)6-4-9/h3-6,8,12H,7,13H2,1-2H3
InChIKeySABIWTLHCPAREL-UHFFFAOYSA-N
XLogP1.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 107064524
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049288
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107048287) is 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine is COc1ccc(C(N)Cc2cn(C)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is SABIWTLHCPAREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-8-10(14-15-16)7-12(13)9-3-5-11(17-2)6-4-9/h3-6,8,12H,7,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107048287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).