N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H24FNO — CID 79368845

IUPACN-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C2OCCC2CNC(C)(C)C)ccc1F
InChIInChI=1S/C16H24FNO/c1-11-9-12(5-6-14(11)17)15-13(7-8-19-15)10-18-16(2,3)4/h5-6,9,13,15,18H,7-8,10H2,1-4H3
InChIKeyKNOWCFMKFSXCHD-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.60
Rot. Bonds3

About N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79368845) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79368845
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C2OCCC2CNC(C)(C)C)ccc1F
InChIInChI=1S/C16H24FNO/c1-11-9-12(5-6-14(11)17)15-13(7-8-19-15)10-18-16(2,3)4/h5-6,9,13,15,18H,7-8,10H2,1-4H3
InChIKeyKNOWCFMKFSXCHD-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79364659
2-methyl-N-[(2-naphthalen-2-yloxolan-3-yl)methyl]propan-2-amine
CID 79370307
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
CID 79370301
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 115530341
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-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365299
N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365209
N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368554
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368361

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 79368845) is N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is Cc1cc(C2OCCC2CNC(C)(C)C)ccc1F.
What is the InChIKey of N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KNOWCFMKFSXCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-9-12(5-6-14(11)17)15-13(7-8-19-15)10-18-16(2,3)4/h5-6,9,13,15,18H,7-8,10H2,1-4H3.
What are the key properties of N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79368845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).