2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-

C15H23NO2 — CID 203685

IUPAC(2R)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESCC(C)NC[C@H](COC1=CC=CC=C1CC=C)O
InChIInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1
InChIKeyPAZJSJFMUHDSTF-CQSZACIVSA-N
MW249.35 g/mol
LogP3.10
Rot. Bonds8

About 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-

2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)- (PubChem CID 203685) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
PubChem CID203685
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2R)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESCC(C)NC[C@H](COC1=CC=CC=C1CC=C)O
InChIInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1
InChIKeyPAZJSJFMUHDSTF-CQSZACIVSA-N
XLogP3.10
TPSA41.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity231

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 2249
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CID 2405
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CID 4946
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Atomoxetine
CID 54841
Propranolol Hydrochloride
CID 62882
Esmolol Hydrochloride
CID 104769
Betaxolol
CID 2369
Oxprenolol
CID 4631
Esmolol
CID 59768
Penbutolol
CID 37464

Frequently Asked Questions

What is the IUPAC name of 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-?
The IUPAC name of 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)- (CID 203685) is (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-?
The canonical SMILES for 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)- is CC(C)NC[C@H](COC1=CC=CC=C1CC=C)O.
What is the InChIKey of 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-?
The InChIKey is PAZJSJFMUHDSTF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1.
What are the key properties of 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-?
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)- has a molecular weight of 249.35 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)- is sourced from PubChem (CID 203685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).