N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine

C17H25F2NO — CID 116789249

IUPACN-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC(F)(F)c2ccccc2)CCO1
InChIInChI=1S/C17H25F2NO/c1-3-16(4-2)12-15(10-11-21-16)20-13-17(18,19)14-8-6-5-7-9-14/h5-9,15,20H,3-4,10-13H2,1-2H3
InChIKeyNTEYQSGKMPKMTF-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.11
Rot. Bonds6

About N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine

N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine (PubChem CID 116789249) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine
PubChem CID116789249
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC(F)(F)c2ccccc2)CCO1
InChIInChI=1S/C17H25F2NO/c1-3-16(4-2)12-15(10-11-21-16)20-13-17(18,19)14-8-6-5-7-9-14/h5-9,15,20H,3-4,10-13H2,1-2H3
InChIKeyNTEYQSGKMPKMTF-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
CID 83035842
1-benzyl-3-(2,2-diethyloxan-4-yl)urea
CID 103867854
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
CID 83035848
2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 83036436
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
CID 82765183
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine (CID 116789249) is N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine is CCC1(CC)CC(NCC(F)(F)c2ccccc2)CCO1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine?
The InChIKey is NTEYQSGKMPKMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-16(4-2)12-15(10-11-21-16)20-13-17(18,19)14-8-6-5-7-9-14/h5-9,15,20H,3-4,10-13H2,1-2H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine?
N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine has a molecular weight of 297.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine is sourced from PubChem (CID 116789249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).