N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine

C22H28N4O2 — CID 75496881

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C(C)(C)C)c(OC)c1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)25(14-18-8-11-20(27-4)12-21(18)28-5)13-17-6-9-19(10-7-17)26-16-23-15-24-26/h6-12,15-16H,13-14H2,1-5H3
InChIKeyQKNPIJKAMLCTKJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.09
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 75496881) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID75496881
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C(C)(C)C)c(OC)c1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)25(14-18-8-11-20(27-4)12-21(18)28-5)13-17-6-9-19(10-7-17)26-16-23-15-24-26/h6-12,15-16H,13-14H2,1-5H3
InChIKeyQKNPIJKAMLCTKJ-UHFFFAOYSA-N
XLogP4.09
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
2-(2,5-dimethoxyphenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 78808726
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 60590010
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 87011161
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111181513
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 46615049
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716
[4-[2-(4-methoxyphenyl)ethyl-methylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285036
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111201838

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine (CID 75496881) is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine is COc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C(C)(C)C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is QKNPIJKAMLCTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,3)25(14-18-8-11-20(27-4)12-21(18)28-5)13-17-6-9-19(10-7-17)26-16-23-15-24-26/h6-12,15-16H,13-14H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 380.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 75496881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).