1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine

C14H22FNO — CID 116724075

IUPAC1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1cc(F)ccc1C)C(C)(C)C
InChIInChI=1S/C14H22FNO/c1-9-6-7-10(15)8-11(9)12(16)13(17-5)14(2,3)4/h6-8,12-13H,16H2,1-5H3
InChIKeyDNLDYJUWMKQWQT-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.20
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine

1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 116724075) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID116724075
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1cc(F)ccc1C)C(C)(C)C
InChIInChI=1S/C14H22FNO/c1-9-6-7-10(15)8-11(9)12(16)13(17-5)14(2,3)4/h6-8,12-13H,16H2,1-5H3
InChIKeyDNLDYJUWMKQWQT-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
CID 79616557
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 105395504
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725300
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 116724075) is 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(C(N)c1cc(F)ccc1C)C(C)(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is DNLDYJUWMKQWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9-6-7-10(15)8-11(9)12(16)13(17-5)14(2,3)4/h6-8,12-13H,16H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).