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

C13H17N3O — CID 60878818

IUPAC1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OCCn1ccnc1
InChIInChI=1S/C13H17N3O/c1-11(14)12-4-2-3-5-13(12)17-9-8-16-7-6-15-10-16/h2-7,10-11H,8-9,14H2,1H3
InChIKeySLWUAYUDMONFGD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds5

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

1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine (PubChem CID 60878818) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
PubChem CID60878818
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OCCn1ccnc1
InChIInChI=1S/C13H17N3O/c1-11(14)12-4-2-3-5-13(12)17-9-8-16-7-6-15-10-16/h2-7,10-11H,8-9,14H2,1H3
InChIKeySLWUAYUDMONFGD-UHFFFAOYSA-N
XLogP1.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
CID 40609983
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
8-(2-imidazol-1-ylethoxy)quinoline
CID 24849052
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine (CID 60878818) is 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine is CC(N)c1ccccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The InChIKey is SLWUAYUDMONFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(14)12-4-2-3-5-13(12)17-9-8-16-7-6-15-10-16/h2-7,10-11H,8-9,14H2,1H3.
What are the key properties of 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 60878818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).