[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C16H23F2NO2 — CID 105053018

IUPAC[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2ccccc2OC(F)F)C(C)(C)O1
InChIInChI=1S/C16H23F2NO2/c1-15(2)9-11(16(3,4)21-15)13(19)10-7-5-6-8-12(10)20-14(17)18/h5-8,11,13-14H,9,19H2,1-4H3
InChIKeyJXZMSAKTDVHRJS-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.88
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105053018) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105053018
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2ccccc2OC(F)F)C(C)(C)O1
InChIInChI=1S/C16H23F2NO2/c1-15(2)9-11(16(3,4)21-15)13(19)10-7-5-6-8-12(10)20-14(17)18/h5-8,11,13-14H,9,19H2,1-4H3
InChIKeyJXZMSAKTDVHRJS-UHFFFAOYSA-N
XLogP3.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 107004373
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
CID 114621071

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105053018) is [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)c2ccccc2OC(F)F)C(C)(C)O1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is JXZMSAKTDVHRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-15(2)9-11(16(3,4)21-15)13(19)10-7-5-6-8-12(10)20-14(17)18/h5-8,11,13-14H,9,19H2,1-4H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 299.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105053018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).