(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine

C11H16FNO — CID 78935870

IUPAC(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C11H16FNO/c1-7(2)14-11-6-9(12)4-5-10(11)8(3)13/h4-8H,13H2,1-3H3/t8-/m0/s1
InChIKeyVRFGIRKAXQISOL-QMMMGPOBSA-N
MW197.25 g/mol
LogP2.63
Rot. Bonds3

About (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine

(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine (PubChem CID 78935870) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
PubChem CID78935870
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C11H16FNO/c1-7(2)14-11-6-9(12)4-5-10(11)8(3)13/h4-8H,13H2,1-3H3/t8-/m0/s1
InChIKeyVRFGIRKAXQISOL-QMMMGPOBSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-but-3-en-2-yloxy-4-fluorophenyl)ethanamine
CID 78936140
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
CID 63065663
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine (CID 78935870) is (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cc(F)ccc1[C@H](C)N.
What is the InChIKey of (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine?
The InChIKey is VRFGIRKAXQISOL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)14-11-6-9(12)4-5-10(11)8(3)13/h4-8H,13H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine?
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine has a molecular weight of 197.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 78935870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).