1-(4-ethoxy-2-fluorophenyl)propan-2-amine

C11H16FNO — CID 55254145

IUPAC1-(4-ethoxy-2-fluorophenyl)propan-2-amine
SMILESCCOc1ccc(CC(C)N)c(F)c1
InChIInChI=1S/C11H16FNO/c1-3-14-10-5-4-9(6-8(2)13)11(12)7-10/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyKRJVQJDDOHTVJO-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.11
Rot. Bonds4

About 1-(4-ethoxy-2-fluorophenyl)propan-2-amine

1-(4-ethoxy-2-fluorophenyl)propan-2-amine (PubChem CID 55254145) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(4-ethoxy-2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2-fluorophenyl)propan-2-amine
PubChem CID55254145
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(4-ethoxy-2-fluorophenyl)propan-2-amine
SMILESCCOc1ccc(CC(C)N)c(F)c1
InChIInChI=1S/C11H16FNO/c1-3-14-10-5-4-9(6-8(2)13)11(12)7-10/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyKRJVQJDDOHTVJO-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606235
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine
CID 82054124
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-ethoxy-2-fluorophenyl)propan-2-amine (CID 55254145) is 1-(4-ethoxy-2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-ethoxy-2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-ethoxy-2-fluorophenyl)propan-2-amine is CCOc1ccc(CC(C)N)c(F)c1.
What is the InChIKey of 1-(4-ethoxy-2-fluorophenyl)propan-2-amine?
The InChIKey is KRJVQJDDOHTVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-14-10-5-4-9(6-8(2)13)11(12)7-10/h4-5,7-8H,3,6,13H2,1-2H3.
What are the key properties of 1-(4-ethoxy-2-fluorophenyl)propan-2-amine?
1-(4-ethoxy-2-fluorophenyl)propan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55254145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).