2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol

C15H21N3O2 — CID 111422192

IUPAC2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNCc2ncc[nH]2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)20-13-5-3-12(4-6-13)14(19)9-16-10-15-17-7-8-18-15/h3-8,11,14,16,19H,9-10H2,1-2H3,(H,17,18)
InChIKeyNDRXLJARQUKTEH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds7

About 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol

2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 111422192) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID111422192
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNCc2ncc[nH]2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)20-13-5-3-12(4-6-13)14(19)9-16-10-15-17-7-8-18-15/h3-8,11,14,16,19H,9-10H2,1-2H3,(H,17,18)
InChIKeyNDRXLJARQUKTEH-UHFFFAOYSA-N
XLogP2.02
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
1-(4-propan-2-yloxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111422217
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol
CID 111118678
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 54976408
(1S,3S)-1-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 97249720
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111466942
(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 125130843

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol (CID 111422192) is 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)CNCc2ncc[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is NDRXLJARQUKTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)20-13-5-3-12(4-6-13)14(19)9-16-10-15-17-7-8-18-15/h3-8,11,14,16,19H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol?
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 111422192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).