(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C16H23F2NO — CID 105052755

IUPAC(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1cc(C(N)C2CC(C)(C)OC2(C)C)c(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-9-6-10(13(18)7-12(9)17)14(19)11-8-15(2,3)20-16(11,4)5/h6-7,11,14H,8,19H2,1-5H3
InChIKeyBKNDCKGARIQXMY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.87
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105052755) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105052755
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1cc(C(N)C2CC(C)(C)OC2(C)C)c(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-9-6-10(13(18)7-12(9)17)14(19)11-8-15(2,3)20-16(11,4)5/h6-7,11,14H,8,19H2,1-5H3
InChIKeyBKNDCKGARIQXMY-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79724121
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105052755) is (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is Cc1cc(C(N)C2CC(C)(C)OC2(C)C)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is BKNDCKGARIQXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-9-6-10(13(18)7-12(9)17)14(19)11-8-15(2,3)20-16(11,4)5/h6-7,11,14H,8,19H2,1-5H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 283.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105052755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).