2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol

C11H16FNO2 — CID 94681852

IUPAC2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
SMILESCOc1ccc(CCNCCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-15-11-3-2-9(8-10(11)12)4-5-13-6-7-14/h2-3,8,13-14H,4-7H2,1H3
InChIKeyISWNMCVXJHMLNN-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.96
Rot. Bonds6

About 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol

2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol (PubChem CID 94681852) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
PubChem CID94681852
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
SMILESCOc1ccc(CCNCCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-15-11-3-2-9(8-10(11)12)4-5-13-6-7-14/h2-3,8,13-14H,4-7H2,1H3
InChIKeyISWNMCVXJHMLNN-UHFFFAOYSA-N
XLogP0.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
3-[2-(3-fluoro-4-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225090
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol
CID 156706690
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 59643126
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60976262

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol (CID 94681852) is 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol is COc1ccc(CCNCCO)cc1F.
What is the InChIKey of 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol?
The InChIKey is ISWNMCVXJHMLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-15-11-3-2-9(8-10(11)12)4-5-13-6-7-14/h2-3,8,13-14H,4-7H2,1H3.
What are the key properties of 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol?
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol has a molecular weight of 213.25 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol is sourced from PubChem (CID 94681852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).