2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol

C15H21N3O2 — CID 81133447

IUPAC2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)Cn2ccnc2)c1
InChIInChI=1S/C15H21N3O2/c1-12(10-18-7-6-16-11-18)17-9-15(19)13-4-3-5-14(8-13)20-2/h3-8,11-12,15,17,19H,9-10H2,1-2H3
InChIKeyPBFPCNCKMAGBRN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.60
Rot. Bonds7

About 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol

2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol (PubChem CID 81133447) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
PubChem CID81133447
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)Cn2ccnc2)c1
InChIInChI=1S/C15H21N3O2/c1-12(10-18-7-6-16-11-18)17-9-15(19)13-4-3-5-14(8-13)20-2/h3-8,11-12,15,17,19H,9-10H2,1-2H3
InChIKeyPBFPCNCKMAGBRN-UHFFFAOYSA-N
XLogP1.60
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
CID 78966951
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95135852
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021

Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol (CID 81133447) is 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC(C)Cn2ccnc2)c1.
What is the InChIKey of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is PBFPCNCKMAGBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(10-18-7-6-16-11-18)17-9-15(19)13-4-3-5-14(8-13)20-2/h3-8,11-12,15,17,19H,9-10H2,1-2H3.
What are the key properties of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol?
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81133447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).