N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine

C14H19N3O3 — CID 63002008

IUPACN-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cnc[nH]2)c(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-18-12-5-4-10(13(19-2)14(12)20-3)6-15-7-11-8-16-9-17-11/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyMHCVTXWCOWCURI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine

N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 63002008) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID63002008
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cnc[nH]2)c(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-18-12-5-4-10(13(19-2)14(12)20-3)6-15-7-11-8-16-9-17-11/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyMHCVTXWCOWCURI-UHFFFAOYSA-N
XLogP1.73
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 63378781
1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 62998840
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 62763558
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 94074514
1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 63000716
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 106415689

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine (CID 63002008) is N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(CNCc2cnc[nH]2)c(OC)c1OC.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is MHCVTXWCOWCURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-18-12-5-4-10(13(19-2)14(12)20-3)6-15-7-11-8-16-9-17-11/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 277.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 63002008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).