2-(2-fluoro-4-methylphenoxy)ethanamine

C9H12FNO — CID 83695309

IUPAC2-(2-fluoro-4-methylphenoxy)ethanamine
SMILESCc1ccc(OCCN)c(F)c1
InChIInChI=1S/C9H12FNO/c1-7-2-3-9(8(10)6-7)12-5-4-11/h2-3,6H,4-5,11H2,1H3
InChIKeyPNLDVXMWLQOMPW-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.47
Rot. Bonds3

About 2-(2-fluoro-4-methylphenoxy)ethanamine

2-(2-fluoro-4-methylphenoxy)ethanamine (PubChem CID 83695309) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenoxy)ethanamine
PubChem CID83695309
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-(2-fluoro-4-methylphenoxy)ethanamine
SMILESCc1ccc(OCCN)c(F)c1
InChIInChI=1S/C9H12FNO/c1-7-2-3-9(8(10)6-7)12-5-4-11/h2-3,6H,4-5,11H2,1H3
InChIKeyPNLDVXMWLQOMPW-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-fluoro-4-methylphenoxy)ethyl-trimethylazanium iodide
CID 157057570
triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
CID 157188616
2-(2-fluoro-4-methylphenoxy)ethanesulfonic acid
CID 21333677
(2-fluoro-4-methylphenoxy)methanesulfinamide
CID 142961172
1-[2-(2-fluoro-4-methylphenoxy)ethyl]pyridin-1-ium
CID 21333604
N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
CID 59873231
2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
CID 156509242
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenoxy)ethanamine?
The IUPAC name of 2-(2-fluoro-4-methylphenoxy)ethanamine (CID 83695309) is 2-(2-fluoro-4-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-fluoro-4-methylphenoxy)ethanamine?
The canonical SMILES for 2-(2-fluoro-4-methylphenoxy)ethanamine is Cc1ccc(OCCN)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenoxy)ethanamine?
The InChIKey is PNLDVXMWLQOMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-7-2-3-9(8(10)6-7)12-5-4-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(2-fluoro-4-methylphenoxy)ethanamine?
2-(2-fluoro-4-methylphenoxy)ethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenoxy)ethanamine is sourced from PubChem (CID 83695309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).