2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine

C14H19N3O — CID 79982447

IUPAC2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
SMILESCOc1ccc(CCn2cnc(CCN)c2)cc1
InChIInChI=1S/C14H19N3O/c1-18-14-4-2-12(3-5-14)7-9-17-10-13(6-8-15)16-11-17/h2-5,10-11H,6-9,15H2,1H3
InChIKeyRFLLQHZITGCUGX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.64
Rot. Bonds6

About 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine

2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 79982447) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
PubChem CID79982447
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
SMILESCOc1ccc(CCn2cnc(CCN)c2)cc1
InChIInChI=1S/C14H19N3O/c1-18-14-4-2-12(3-5-14)7-9-17-10-13(6-8-15)16-11-17/h2-5,10-11H,6-9,15H2,1H3
InChIKeyRFLLQHZITGCUGX-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine
CID 96663652
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide
CID 57265773
2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
CID 104649116
2-[1-(methoxymethyl)imidazol-4-yl]ethanamine
CID 106720976
3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79982620
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol
CID 114204808
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
CID 122129869
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine (CID 79982447) is 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine is COc1ccc(CCn2cnc(CCN)c2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is RFLLQHZITGCUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-14-4-2-12(3-5-14)7-9-17-10-13(6-8-15)16-11-17/h2-5,10-11H,6-9,15H2,1H3.
What are the key properties of 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).