2-(2-fluorophenyl)-2-(methylamino)butan-1-ol

C11H16FNO — CID 112679658

IUPAC2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
SMILESCCC(CO)(NC)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-3-11(8-14,13-2)9-6-4-5-7-10(9)12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyDPKAEJOZUBMLAF-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.64
Rot. Bonds4

About 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol

2-(2-fluorophenyl)-2-(methylamino)butan-1-ol (PubChem CID 112679658) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
PubChem CID112679658
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
SMILESCCC(CO)(NC)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-3-11(8-14,13-2)9-6-4-5-7-10(9)12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyDPKAEJOZUBMLAF-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol
CID 112679656
2-(4-fluorophenyl)-2-(methylamino)butan-1-ol
CID 61055510
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
3-(ethylamino)-3-(2-fluorophenyl)pentanamide
CID 112680259
2-(2-fluorophenyl)-2-(methylamino)butanamide
CID 112677135
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-ethyl-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 62596055
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
CID 114209768
3-(2-methoxyphenyl)-N-methylpentan-3-amine
CID 163486951

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol (CID 112679658) is 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol is CCC(CO)(NC)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol?
The InChIKey is DPKAEJOZUBMLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-11(8-14,13-2)9-6-4-5-7-10(9)12/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol?
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 112679658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).