4-(2-fluorophenoxy)-4-methylpentan-2-amine

C12H18FNO — CID 82078105

IUPAC4-(2-fluorophenoxy)-4-methylpentan-2-amine
SMILESCC(N)CC(C)(C)Oc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(14)8-12(2,3)15-11-7-5-4-6-10(11)13/h4-7,9H,8,14H2,1-3H3
InChIKeyGMBKTFPIXMWFHK-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.72
Rot. Bonds4

About 4-(2-fluorophenoxy)-4-methylpentan-2-amine

4-(2-fluorophenoxy)-4-methylpentan-2-amine (PubChem CID 82078105) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-4-methylpentan-2-amine
PubChem CID82078105
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(2-fluorophenoxy)-4-methylpentan-2-amine
SMILESCC(N)CC(C)(C)Oc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(14)8-12(2,3)15-11-7-5-4-6-10(11)13/h4-7,9H,8,14H2,1-3H3
InChIKeyGMBKTFPIXMWFHK-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine
CID 82090687
2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
CID 114994799
4,4-difluoro-4-(2-fluorophenyl)butan-2-amine
CID 105455072
1-(2-fluorophenoxy)ethanethiol
CID 166973393
1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 43128559
4-chloro-3-(2-fluorophenoxy)-2,3-dimethylbutan-2-ol
CID 174941560
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 86262696
1-[chloro(difluoro)methoxy]-2-fluorobenzene
CID 15681631
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-4-methylpentan-2-amine?
The IUPAC name of 4-(2-fluorophenoxy)-4-methylpentan-2-amine (CID 82078105) is 4-(2-fluorophenoxy)-4-methylpentan-2-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-4-methylpentan-2-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-4-methylpentan-2-amine is CC(N)CC(C)(C)Oc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-4-methylpentan-2-amine?
The InChIKey is GMBKTFPIXMWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(14)8-12(2,3)15-11-7-5-4-6-10(11)13/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 4-(2-fluorophenoxy)-4-methylpentan-2-amine?
4-(2-fluorophenoxy)-4-methylpentan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-4-methylpentan-2-amine is sourced from PubChem (CID 82078105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).