(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine

C11H16FNO — CID 102981073

IUPAC(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
SMILESCc1ccc(F)cc1OC(C)[C@H](C)N
InChIInChI=1S/C11H16FNO/c1-7-4-5-10(12)6-11(7)14-9(3)8(2)13/h4-6,8-9H,13H2,1-3H3/t8-,9?/m0/s1
InChIKeyGSVONQNTBLXQSU-IENPIDJESA-N
MW197.25 g/mol
LogP2.25
Rot. Bonds3

About (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine

(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine (PubChem CID 102981073) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine.

Molecular Properties

Compound Name(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
PubChem CID102981073
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
SMILESCc1ccc(F)cc1OC(C)[C@H](C)N
InChIInChI=1S/C11H16FNO/c1-7-4-5-10(12)6-11(7)14-9(3)8(2)13/h4-6,8-9H,13H2,1-3H3/t8-,9?/m0/s1
InChIKeyGSVONQNTBLXQSU-IENPIDJESA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenoxy)pentan-3-ol
CID 102983322
1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 102980600
2-(5-fluoro-2-methylphenoxy)-1-phenylpropan-1-ol
CID 102983363
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980448
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982281
1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
CID 16792562
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine?
The IUPAC name of (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine (CID 102981073) is (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine.
What is the SMILES notation for (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine?
The canonical SMILES for (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine is Cc1ccc(F)cc1OC(C)[C@H](C)N.
What is the InChIKey of (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine?
The InChIKey is GSVONQNTBLXQSU-IENPIDJESA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-4-5-10(12)6-11(7)14-9(3)8(2)13/h4-6,8-9H,13H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine?
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine is sourced from PubChem (CID 102981073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).