N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine

C15H21F2NO — CID 83033287

IUPACN-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2NO/c1-10(11-6-12(16)8-13(17)7-11)18-14-4-5-19-15(2,3)9-14/h6-8,10,14,18H,4-5,9H2,1-3H3
InChIKeyPALSPLXMPYTQRM-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.57
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine

N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine (PubChem CID 83033287) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
PubChem CID83033287
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2NO/c1-10(11-6-12(16)8-13(17)7-11)18-14-4-5-19-15(2,3)9-14/h6-8,10,14,18H,4-5,9H2,1-3H3
InChIKeyPALSPLXMPYTQRM-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707073
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81348055
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895662
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032784

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine (CID 83033287) is N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine is CC(NC1CCOC(C)(C)C1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The InChIKey is PALSPLXMPYTQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(11-6-12(16)8-13(17)7-11)18-14-4-5-19-15(2,3)9-14/h6-8,10,14,18H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine has a molecular weight of 269.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83033287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).