1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

C14H20N4O2 — CID 111512470

IUPAC1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCOc1cccc(C(O)CN(C)Cc2ncnn2C)c1
InChIInChI=1S/C14H20N4O2/c1-17(9-14-15-10-16-18(14)2)8-13(19)11-5-4-6-12(7-11)20-3/h4-7,10,13,19H,8-9H2,1-3H3
InChIKeyFHQRHUDFQFLFKQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.99
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (PubChem CID 111512470) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
PubChem CID111512470
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCOc1cccc(C(O)CN(C)Cc2ncnn2C)c1
InChIInChI=1S/C14H20N4O2/c1-17(9-14-15-10-16-18(14)2)8-13(19)11-5-4-6-12(7-11)20-3/h4-7,10,13,19H,8-9H2,1-3H3
InChIKeyFHQRHUDFQFLFKQ-UHFFFAOYSA-N
XLogP0.99
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol with MolForge

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 171328455
2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
CID 111512497
1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111512493
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 95628605
2-[cyanomethyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetonitrile
CID 81137106
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
1-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 111512466
4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 111379069
(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115030681
1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol
CID 81137734
1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
CID 111799291

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (CID 111512470) is 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is COc1cccc(C(O)CN(C)Cc2ncnn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The InChIKey is FHQRHUDFQFLFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(9-14-15-10-16-18(14)2)8-13(19)11-5-4-6-12(7-11)20-3/h4-7,10,13,19H,8-9H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol has a molecular weight of 276.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 111512470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).