2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol

C13H21NO2 — CID 43151137

IUPAC2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
SMILESCC(C)Oc1ccc(C(C)NCCO)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13-6-4-12(5-7-13)11(3)14-8-9-15/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyIWGHYUFKAWQHSH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

About 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol

2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol (PubChem CID 43151137) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
PubChem CID43151137
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
SMILESCC(C)Oc1ccc(C(C)NCCO)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13-6-4-12(5-7-13)11(3)14-8-9-15/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyIWGHYUFKAWQHSH-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

2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 62586059
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 81343833
1,1-dimethyl-3-[2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]urea
CID 83112295
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 107094233
1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
CID 103788003
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol?
The IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol (CID 43151137) is 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol is CC(C)Oc1ccc(C(C)NCCO)cc1.
What is the InChIKey of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol?
The InChIKey is IWGHYUFKAWQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)16-13-6-4-12(5-7-13)11(3)14-8-9-15/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol?
2-[1-(4-propan-2-yloxyphenyl)ethylamino]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-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol is sourced from PubChem (CID 43151137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).