4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol

C11H17NO2 — CID 55268338

IUPAC4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol
SMILESCCc1cc(O)ccc1[C@H](N)COC
InChIInChI=1S/C11H17NO2/c1-3-8-6-9(13)4-5-10(8)11(12)7-14-2/h4-6,11,13H,3,7,12H2,1-2H3/t11-/m1/s1
InChIKeyQRYUPYXEAOSXRY-LLVKDONJSA-N
MW195.26 g/mol
LogP1.60
Rot. Bonds4

About 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol

4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol (PubChem CID 55268338) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol
PubChem CID55268338
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol
SMILESCCc1cc(O)ccc1[C@H](N)COC
InChIInChI=1S/C11H17NO2/c1-3-8-6-9(13)4-5-10(8)11(12)7-14-2/h4-6,11,13H,3,7,12H2,1-2H3/t11-/m1/s1
InChIKeyQRYUPYXEAOSXRY-LLVKDONJSA-N
XLogP1.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
1-(2-ethyl-5-fluorophenyl)-2-methoxyethanamine
CID 55273260
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol
CID 130042329
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
4-amino-2-(1-amino-2-methoxyethyl)phenol
CID 55294234
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
4-(1-methoxybutan-2-yl)-3-methylphenol
CID 156826769
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
CID 5125045
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol?
The IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol (CID 55268338) is 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol?
The canonical SMILES for 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol is CCc1cc(O)ccc1[C@H](N)COC.
What is the InChIKey of 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol?
The InChIKey is QRYUPYXEAOSXRY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-8-6-9(13)4-5-10(8)11(12)7-14-2/h4-6,11,13H,3,7,12H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol?
4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol is sourced from PubChem (CID 55268338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).