2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol

C14H23NO2 — CID 61211137

IUPAC2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-4-8-15-14(10-16)12-6-5-7-13(9-12)17-11(2)3/h5-7,9,11,14-16H,4,8,10H2,1-3H3
InChIKeyHAJZLKRMOGPUEX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds7

About 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol

2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol (PubChem CID 61211137) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
PubChem CID61211137
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-4-8-15-14(10-16)12-6-5-7-13(9-12)17-11(2)3/h5-7,9,11,14-16H,4,8,10H2,1-3H3
InChIKeyHAJZLKRMOGPUEX-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
CID 104987785
3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 104995268
3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
CID 65378876
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018978
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol?
The IUPAC name of 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol (CID 61211137) is 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol?
The canonical SMILES for 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol is CCCNC(CO)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol?
The InChIKey is HAJZLKRMOGPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-8-15-14(10-16)12-6-5-7-13(9-12)17-11(2)3/h5-7,9,11,14-16H,4,8,10H2,1-3H3.
What are the key properties of 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol?
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 61211137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).