2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol

C13H21NO2 — CID 60904151

IUPAC2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
SMILESCCC(C)NCC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-10(2)14-9-13(15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyBAEBTXVZPPXJPH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol

2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol (PubChem CID 60904151) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
PubChem CID60904151
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
SMILESCCC(C)NCC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-10(2)14-9-13(15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyBAEBTXVZPPXJPH-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 61476867
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 103108710
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol (CID 60904151) is 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol is CCC(C)NCC(O)c1ccc(OC)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is BAEBTXVZPPXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-10(2)14-9-13(15)11-5-7-12(16-3)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60904151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).