N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine

C18H20N4O — CID 60590081

IUPACN-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H20N4O/c1-14(20-11-16-5-3-4-6-18(16)23-2)15-7-9-17(10-8-15)22-13-19-12-21-22/h3-10,12-14,20H,11H2,1-2H3
InChIKeyLRGOWMOKMUECGP-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine

N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (PubChem CID 60590081) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
PubChem CID60590081
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H20N4O/c1-14(20-11-16-5-3-4-6-18(16)23-2)15-7-9-17(10-8-15)22-13-19-12-21-22/h3-10,12-14,20H,11H2,1-2H3
InChIKeyLRGOWMOKMUECGP-UHFFFAOYSA-N
XLogP3.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 60590010
2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
(1R)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 94813974
(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 129369537
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
CID 43191524
2-(2-benzylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41103412
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 94193136

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (CID 60590081) is N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is COc1ccccc1CNC(C)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The InChIKey is LRGOWMOKMUECGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14(20-11-16-5-3-4-6-18(16)23-2)15-7-9-17(10-8-15)22-13-19-12-21-22/h3-10,12-14,20H,11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine has a molecular weight of 308.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 60590081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).