(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C16H24FNO — CID 114622974

IUPAC(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1ccc(F)cc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24FNO/c1-10-6-7-11(17)8-12(10)14(18)13-9-15(2,3)19-16(13,4)5/h6-8,13-14H,9,18H2,1-5H3
InChIKeyJKQBGTIJLAXUOO-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.73
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114622974) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114622974
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1ccc(F)cc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24FNO/c1-10-6-7-11(17)8-12(10)14(18)13-9-15(2,3)19-16(13,4)5/h6-8,13-14H,9,18H2,1-5H3
InChIKeyJKQBGTIJLAXUOO-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189142
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114622974) is (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is Cc1ccc(F)cc1C(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is JKQBGTIJLAXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-10-6-7-11(17)8-12(10)14(18)13-9-15(2,3)19-16(13,4)5/h6-8,13-14H,9,18H2,1-5H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 265.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114622974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).