N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

C19H22N4O2 — CID 78893817

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCCOc1ccc(CNc2cccc(-c3n[nH]c(C)n3)c2)cc1OC
InChIInChI=1S/C19H22N4O2/c1-4-25-17-9-8-14(10-18(17)24-3)12-20-16-7-5-6-15(11-16)19-21-13(2)22-23-19/h5-11,20H,4,12H2,1-3H3,(H,21,22,23)
InChIKeyPNRQSOQVRDKRBR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.80
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 78893817) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID78893817
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCCOc1ccc(CNc2cccc(-c3n[nH]c(C)n3)c2)cc1OC
InChIInChI=1S/C19H22N4O2/c1-4-25-17-9-8-14(10-18(17)24-3)12-20-16-7-5-6-15(11-16)19-21-13(2)22-23-19/h5-11,20H,4,12H2,1-3H3,(H,21,22,23)
InChIKeyPNRQSOQVRDKRBR-UHFFFAOYSA-N
XLogP3.80
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 78893979
N-[(3-bromophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935760
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
N-[(2-methylphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935634
N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 62741560
N-(3-methoxy-3-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 106675384
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060219
N-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60936009
N-[(2-chlorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935874
N-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865266
N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865337

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (CID 78893817) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is CCOc1ccc(CNc2cccc(-c3n[nH]c(C)n3)c2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is PNRQSOQVRDKRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-25-17-9-8-14(10-18(17)24-3)12-20-16-7-5-6-15(11-16)19-21-13(2)22-23-19/h5-11,20H,4,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 338.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 78893817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).