2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine

C13H17N3O — CID 43253780

IUPAC2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C13H17N3O/c14-6-5-12-1-3-13(4-2-12)17-10-9-16-8-7-15-11-16/h1-4,7-8,11H,5-6,9-10,14H2
InChIKeySTMUPMLMJOUWRO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.46
Rot. Bonds6

About 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine

2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine (PubChem CID 43253780) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
PubChem CID43253780
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C13H17N3O/c14-6-5-12-1-3-13(4-2-12)17-10-9-16-8-7-15-11-16/h1-4,7-8,11H,5-6,9-10,14H2
InChIKeySTMUPMLMJOUWRO-UHFFFAOYSA-N
XLogP1.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
CID 79799328
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
CID 55235489
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
CID 99926038
N-[2-(4-butylphenoxy)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 18349593
propyl 4-(2-imidazol-1-ylethoxy)benzoate
CID 173412849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine (CID 43253780) is 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine is NCCc1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The InChIKey is STMUPMLMJOUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-6-5-12-1-3-13(4-2-12)17-10-9-16-8-7-15-11-16/h1-4,7-8,11H,5-6,9-10,14H2.
What are the key properties of 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 43253780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).