3-amino-1-(3-ethoxyphenyl)propan-1-ol

C11H17NO2 — CID 79135598

IUPAC3-amino-1-(3-ethoxyphenyl)propan-1-ol
SMILESCCOc1cccc(C(O)CCN)c1
InChIInChI=1S/C11H17NO2/c1-2-14-10-5-3-4-9(8-10)11(13)6-7-12/h3-5,8,11,13H,2,6-7,12H2,1H3
InChIKeyRFPFXACMBWZBMP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds5

About 3-amino-1-(3-ethoxyphenyl)propan-1-ol

3-amino-1-(3-ethoxyphenyl)propan-1-ol (PubChem CID 79135598) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-amino-1-(3-ethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-ethoxyphenyl)propan-1-ol
PubChem CID79135598
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-amino-1-(3-ethoxyphenyl)propan-1-ol
SMILESCCOc1cccc(C(O)CCN)c1
InChIInChI=1S/C11H17NO2/c1-2-14-10-5-3-4-9(8-10)11(13)6-7-12/h3-5,8,11,13H,2,6-7,12H2,1H3
InChIKeyRFPFXACMBWZBMP-UHFFFAOYSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol
CID 170002029
4-[3-(3-amino-1-hydroxypropyl)phenoxy]butanal;methanamine
CID 143786000
1-(3-ethoxyphenyl)-4-methoxypentan-1-ol
CID 105119501
1-(3-ethoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035096
1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
CID 130373177
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
CID 130373215
chloro-(3-ethoxyphenyl)methanol
CID 141156919
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-ethoxyphenyl)propan-1-ol (CID 79135598) is 3-amino-1-(3-ethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-ethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-ethoxyphenyl)propan-1-ol is CCOc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-(3-ethoxyphenyl)propan-1-ol?
The InChIKey is RFPFXACMBWZBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-14-10-5-3-4-9(8-10)11(13)6-7-12/h3-5,8,11,13H,2,6-7,12H2,1H3.
What are the key properties of 3-amino-1-(3-ethoxyphenyl)propan-1-ol?
3-amino-1-(3-ethoxyphenyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethoxyphenyl)propan-1-ol is sourced from PubChem (CID 79135598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).