1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol

C15H21N3O3 — CID 61463199

IUPAC1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNCCn1ccnc1
InChIInChI=1S/C15H21N3O3/c1-20-14-4-2-3-5-15(14)21-11-13(19)10-16-6-8-18-9-7-17-12-18/h2-5,7,9,12-13,16,19H,6,8,10-11H2,1H3
InChIKeyBOBQYHHJEXCFFW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.92
Rot. Bonds9

About 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol

1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 61463199) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID61463199
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNCCn1ccnc1
InChIInChI=1S/C15H21N3O3/c1-20-14-4-2-3-5-15(14)21-11-13(19)10-16-6-8-18-9-7-17-12-18/h2-5,7,9,12-13,16,19H,6,8,10-11H2,1H3
InChIKeyBOBQYHHJEXCFFW-UHFFFAOYSA-N
XLogP0.92
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol
CID 63930273
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
1-(4-imidazol-1-ylbutylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989768
(2R)-1-(3,5-dimethylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 25421946
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol (CID 61463199) is 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNCCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is BOBQYHHJEXCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-20-14-4-2-3-5-15(14)21-11-13(19)10-16-6-8-18-9-7-17-12-18/h2-5,7,9,12-13,16,19H,6,8,10-11H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol?
1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 61463199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).