(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol

C12H19NO3 — CID 67175570

IUPAC(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
SMILESCCOc1cc([C@H](N)CCO)ccc1OC
InChIInChI=1S/C12H19NO3/c1-3-16-12-8-9(10(13)6-7-14)4-5-11(12)15-2/h4-5,8,10,14H,3,6-7,13H2,1-2H3/t10-/m1/s1
InChIKeyOJRXGWPSOSXIDE-SNVBAGLBSA-N
MW225.29 g/mol
LogP1.48
Rot. Bonds6

About (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol

(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol (PubChem CID 67175570) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
PubChem CID67175570
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
SMILESCCOc1cc([C@H](N)CCO)ccc1OC
InChIInChI=1S/C12H19NO3/c1-3-16-12-8-9(10(13)6-7-14)4-5-11(12)15-2/h4-5,8,10,14H,3,6-7,13H2,1-2H3/t10-/m1/s1
InChIKeyOJRXGWPSOSXIDE-SNVBAGLBSA-N
XLogP1.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol (CID 67175570) is (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol is CCOc1cc([C@H](N)CCO)ccc1OC.
What is the InChIKey of (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol?
The InChIKey is OJRXGWPSOSXIDE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-12-8-9(10(13)6-7-14)4-5-11(12)15-2/h4-5,8,10,14H,3,6-7,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol?
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 67175570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).