N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine

C13H17N3O — CID 54976078

IUPACN-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ncc[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-10(16-9-13-14-6-7-15-13)11-4-3-5-12(8-11)17-2/h3-8,10,16H,9H2,1-2H3,(H,14,15)
InChIKeyZRZXAPVTTMJQFD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.27
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine

N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 54976078) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID54976078
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ncc[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-10(16-9-13-14-6-7-15-13)11-4-3-5-12(8-11)17-2/h3-8,10,16H,9H2,1-2H3,(H,14,15)
InChIKeyZRZXAPVTTMJQFD-UHFFFAOYSA-N
XLogP2.27
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 119111306
2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 61080490
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81381224
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81376430
4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
CID 64547217
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 54976078) is N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2ncc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is ZRZXAPVTTMJQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(16-9-13-14-6-7-15-13)11-4-3-5-12(8-11)17-2/h3-8,10,16H,9H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.27, 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-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 54976078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).