4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine

C15H22N4O — CID 107063943

IUPAC4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)Cc1cn(C)nn1
InChIInChI=1S/C15H22N4O/c1-16-13(10-14-11-19(2)18-17-14)7-4-12-5-8-15(20-3)9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3
InChIKeyXNNKPYVJJRKIMT-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.59
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine

4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine (PubChem CID 107063943) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
PubChem CID107063943
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)Cc1cn(C)nn1
InChIInChI=1S/C15H22N4O/c1-16-13(10-14-11-19(2)18-17-14)7-4-12-5-8-15(20-3)9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3
InChIKeyXNNKPYVJJRKIMT-UHFFFAOYSA-N
XLogP1.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
CID 107064246
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107063863
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine (CID 107063943) is 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine is CNC(CCc1ccc(OC)cc1)Cc1cn(C)nn1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
The InChIKey is XNNKPYVJJRKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-16-13(10-14-11-19(2)18-17-14)7-4-12-5-8-15(20-3)9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine is sourced from PubChem (CID 107063943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).