(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine

C10H14FNO — CID 80698499

IUPAC(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCCF)c1
InChIInChI=1S/C10H14FNO/c1-8(12)9-3-2-4-10(7-9)13-6-5-11/h2-4,7-8H,5-6,12H2,1H3/t8-/m0/s1
InChIKeyPHOKBLAPHMJPJH-QMMMGPOBSA-N
MW183.23 g/mol
LogP2.05
Rot. Bonds4

About (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine

(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine (PubChem CID 80698499) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
PubChem CID80698499
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCCF)c1
InChIInChI=1S/C10H14FNO/c1-8(12)9-3-2-4-10(7-9)13-6-5-11/h2-4,7-8H,5-6,12H2,1H3/t8-/m0/s1
InChIKeyPHOKBLAPHMJPJH-QMMMGPOBSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
(1S)-1-(3-pent-3-ynoxyphenyl)ethanamine
CID 104805207
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine (CID 80698499) is (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine is C[C@H](N)c1cccc(OCCF)c1.
What is the InChIKey of (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine?
The InChIKey is PHOKBLAPHMJPJH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8(12)9-3-2-4-10(7-9)13-6-5-11/h2-4,7-8H,5-6,12H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine?
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine has a molecular weight of 183.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 80698499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).