(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine

C11H16FNO2 — CID 80699992

IUPAC(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCCF
InChIInChI=1S/C11H16FNO2/c1-8(13)9-3-4-10(15-6-5-12)11(7-9)14-2/h3-4,7-8H,5-6,13H2,1-2H3/t8-/m1/s1
InChIKeyKUHAMTFKGVWLHE-MRVPVSSYSA-N
MW213.25 g/mol
LogP2.06
Rot. Bonds5

About (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine

(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine (PubChem CID 80699992) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
PubChem CID80699992
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCCF
InChIInChI=1S/C11H16FNO2/c1-8(13)9-3-4-10(15-6-5-12)11(7-9)14-2/h3-4,7-8H,5-6,13H2,1-2H3/t8-/m1/s1
InChIKeyKUHAMTFKGVWLHE-MRVPVSSYSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939561
5-[4-(1-aminoethyl)-2-methoxyphenoxy]pentanenitrile
CID 54966259
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
CID 113374141
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78936627
(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
CID 78936400
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine (CID 80699992) is (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine is COc1cc([C@@H](C)N)ccc1OCCF.
What is the InChIKey of (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine?
The InChIKey is KUHAMTFKGVWLHE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(13)9-3-4-10(15-6-5-12)11(7-9)14-2/h3-4,7-8H,5-6,13H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine?
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine has a molecular weight of 213.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 80699992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).