(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine

C14H22FNO — CID 103284039

IUPAC(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1cccc(F)c1[C@H](C)N
InChIInChI=1S/C14H22FNO/c1-4-6-10(2)9-17-13-8-5-7-12(15)14(13)11(3)16/h5,7-8,10-11H,4,6,9,16H2,1-3H3/t10?,11-/m0/s1
InChIKeyBSHYDOIJFLWDSA-DTIOYNMSSA-N
MW239.33 g/mol
LogP3.66
Rot. Bonds6

About (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine

(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 103284039) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
PubChem CID103284039
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1cccc(F)c1[C@H](C)N
InChIInChI=1S/C14H22FNO/c1-4-6-10(2)9-17-13-8-5-7-12(15)14(13)11(3)16/h5,7-8,10-11H,4,6,9,16H2,1-3H3/t10?,11-/m0/s1
InChIKeyBSHYDOIJFLWDSA-DTIOYNMSSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
CID 78938210
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
2-(2-methylpentoxy)aniline
CID 45075234
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
CID 78938385
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 43128559
[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine
CID 103282838

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine (CID 103284039) is (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1cccc(F)c1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is BSHYDOIJFLWDSA-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-6-10(2)9-17-13-8-5-7-12(15)14(13)11(3)16/h5,7-8,10-11H,4,6,9,16H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine?
(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 103284039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).