N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C14H19N3O — CID 54976068

IUPACN-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ncc[nH]1
InChIInChI=1S/C14H19N3O/c1-10-4-5-13(18-3)12(8-10)11(2)17-9-14-15-6-7-16-14/h4-8,11,17H,9H2,1-3H3,(H,15,16)
InChIKeyXXFVTMHXZNGQKH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 54976068) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID54976068
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ncc[nH]1
InChIInChI=1S/C14H19N3O/c1-10-4-5-13(18-3)12(8-10)11(2)17-9-14-15-6-7-16-14/h4-8,11,17H,9H2,1-3H3,(H,15,16)
InChIKeyXXFVTMHXZNGQKH-UHFFFAOYSA-N
XLogP2.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 119111306
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2-methoxy-5-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895459
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64540349
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43225409

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 54976068) is N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is XXFVTMHXZNGQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-5-13(18-3)12(8-10)11(2)17-9-14-15-6-7-16-14/h4-8,11,17H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 54976068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).