[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine

C11H16FNO — CID 125426921

IUPAC[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
SMILESCC[C@H](C)Oc1cccc(CN)c1F
InChIInChI=1S/C11H16FNO/c1-3-8(2)14-10-6-4-5-9(7-13)11(10)12/h4-6,8H,3,7,13H2,1-2H3/t8-/m0/s1
InChIKeyOPZXSTSIXQTGMZ-QMMMGPOBSA-N
MW197.25 g/mol
LogP2.46
Rot. Bonds4

About [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine

[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine (PubChem CID 125426921) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
PubChem CID125426921
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
SMILESCC[C@H](C)Oc1cccc(CN)c1F
InChIInChI=1S/C11H16FNO/c1-3-8(2)14-10-6-4-5-9(7-13)11(10)12/h4-6,8H,3,7,13H2,1-2H3/t8-/m0/s1
InChIKeyOPZXSTSIXQTGMZ-QMMMGPOBSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
(2-fluoro-3-pent-2-ynoxyphenyl)methanamine
CID 68779466
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
CID 66843725
(2-bromo-3-fluoro-4-octan-2-yloxyphenyl)methanamine
CID 107532631
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine (CID 125426921) is [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine is CC[C@H](C)Oc1cccc(CN)c1F.
What is the InChIKey of [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine?
The InChIKey is OPZXSTSIXQTGMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-8(2)14-10-6-4-5-9(7-13)11(10)12/h4-6,8H,3,7,13H2,1-2H3/t8-/m0/s1.
What are the key properties of [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine?
[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine has a molecular weight of 197.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine is sourced from PubChem (CID 125426921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).