(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol

C13H21NO3 — CID 66514904

IUPAC(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
SMILESCCOc1cc([C@@H](N)CO)ccc1OC(C)C
InChIInChI=1S/C13H21NO3/c1-4-16-13-7-10(11(14)8-15)5-6-12(13)17-9(2)3/h5-7,9,11,15H,4,8,14H2,1-3H3/t11-/m0/s1
InChIKeyGUKNEOYESLTLDT-NSHDSACASA-N
MW239.31 g/mol
LogP1.86
Rot. Bonds6

About (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol

(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol (PubChem CID 66514904) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
PubChem CID66514904
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
SMILESCCOc1cc([C@@H](N)CO)ccc1OC(C)C
InChIInChI=1S/C13H21NO3/c1-4-16-13-7-10(11(14)8-15)5-6-12(13)17-9(2)3/h5-7,9,11,15H,4,8,14H2,1-3H3/t11-/m0/s1
InChIKeyGUKNEOYESLTLDT-NSHDSACASA-N
XLogP1.86
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride
CID 69109327
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol (CID 66514904) is (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol is CCOc1cc([C@@H](N)CO)ccc1OC(C)C.
What is the InChIKey of (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol?
The InChIKey is GUKNEOYESLTLDT-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-16-13-7-10(11(14)8-15)5-6-12(13)17-9(2)3/h5-7,9,11,15H,4,8,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol?
(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 66514904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).