N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine

C14H20N4O — CID 107041583

IUPACN-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cn(C)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-11(15-2)8-12-4-6-14(7-5-12)19-10-13-9-18(3)17-16-13/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyXYSQQCSBWCAKFC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds6

About N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine

N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine (PubChem CID 107041583) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
PubChem CID107041583
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cn(C)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-11(15-2)8-12-4-6-14(7-5-12)19-10-13-9-18(3)17-16-13/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyXYSQQCSBWCAKFC-UHFFFAOYSA-N
XLogP1.54
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 107041224
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494639
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine
CID 107717133
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole
CID 171518761

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine (CID 107041583) is N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine is CNC(C)Cc1ccc(OCc2cn(C)nn2)cc1.
What is the InChIKey of N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is XYSQQCSBWCAKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(15-2)8-12-4-6-14(7-5-12)19-10-13-9-18(3)17-16-13/h4-7,9,11,15H,8,10H2,1-3H3.
What are the key properties of N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine?
N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107041583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).