N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine

C16H23N3O3 — CID 77081168

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(CN(C)Cc2ncc(C)[nH]2)c(OC)c1
InChIInChI=1S/C16H23N3O3/c1-11-8-17-16(18-11)10-19(2)9-13-14(21-4)6-12(20-3)7-15(13)22-5/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKeyMVYVIYABRDZNTN-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.38
Rot. Bonds7

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 77081168) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID77081168
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(CN(C)Cc2ncc(C)[nH]2)c(OC)c1
InChIInChI=1S/C16H23N3O3/c1-11-8-17-16(18-11)10-19(2)9-13-14(21-4)6-12(20-3)7-15(13)22-5/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKeyMVYVIYABRDZNTN-UHFFFAOYSA-N
XLogP2.38
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 55103553
3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
CID 115231000
3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 122568022
1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 77080785
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 74231480
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline
CID 135160839
N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 146255660
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 28956274
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine (CID 77081168) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine is COc1cc(OC)c(CN(C)Cc2ncc(C)[nH]2)c(OC)c1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is MVYVIYABRDZNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-8-17-16(18-11)10-19(2)9-13-14(21-4)6-12(20-3)7-15(13)22-5/h6-8H,9-10H2,1-5H3,(H,17,18).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 305.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 77081168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).