N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H23F2NO — CID 115530341

IUPACN-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C16H23F2NO/c1-16(2,3)19-10-13-7-8-20-14(13)11-5-4-6-12(9-11)15(17)18/h4-6,9,13-15,19H,7-8,10H2,1-3H3
InChIKeyASUXWKNLVRCFHX-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.09
Rot. Bonds4

About N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 115530341) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID115530341
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C16H23F2NO/c1-16(2,3)19-10-13-7-8-20-14(13)11-5-4-6-12(9-11)15(17)18/h4-6,9,13-15,19H,7-8,10H2,1-3H3
InChIKeyASUXWKNLVRCFHX-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 115530338
N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368845
2-methyl-N-[(2-naphthalen-2-yloxolan-3-yl)methyl]propan-2-amine
CID 79370307
2-[3-(difluoromethyl)phenyl]oxolan-3-amine
CID 115530352
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
CID 79370301
2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368179
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79367897
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79364659
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368554
N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365299

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 115530341) is N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCOC1c1cccc(C(F)F)c1.
What is the InChIKey of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ASUXWKNLVRCFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-16(2,3)19-10-13-7-8-20-14(13)11-5-4-6-12(9-11)15(17)18/h4-6,9,13-15,19H,7-8,10H2,1-3H3.
What are the key properties of N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).