2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine

C12H18FNO — CID 65053286

IUPAC2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine
SMILESCCC(C)(CN)OCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-12(2,9-14)15-8-10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3
InChIKeyDUGUTDOCDOYLJA-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.47
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine

2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine (PubChem CID 65053286) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine
PubChem CID65053286
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine
SMILESCCC(C)(CN)OCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-12(2,9-14)15-8-10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3
InChIKeyDUGUTDOCDOYLJA-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141224
2-(5-fluoro-2-methylphenoxy)-2-methylbutan-1-amine
CID 102986123
(4-fluorophenyl)methyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672754
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
CID 67214176
2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine
CID 65125736
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
2-methyl-2-[(4-methylphenyl)methoxy]propan-1-amine
CID 65053113
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
ethane;(4-fluorophenyl)methanamine
CID 142071105

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine (CID 65053286) is 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine is CCC(C)(CN)OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine?
The InChIKey is DUGUTDOCDOYLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-12(2,9-14)15-8-10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine?
2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine is sourced from PubChem (CID 65053286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).