4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine

C17H27FN2O — CID 99852122

IUPAC4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine
SMILESCC[C@@H](NCC1(N(C)C)CCOCC1)c1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-16(14-7-5-6-8-15(14)18)19-13-17(20(2)3)9-11-21-12-10-17/h5-8,16,19H,4,9-13H2,1-3H3/t16-/m1/s1
InChIKeyYOOYSCQODXIZLZ-MRXNPFEDSA-N
MW294.41 g/mol
LogP2.98
Rot. Bonds6

About 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine

4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine (PubChem CID 99852122) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine
PubChem CID99852122
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine
SMILESCC[C@@H](NCC1(N(C)C)CCOCC1)c1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-16(14-7-5-6-8-15(14)18)19-13-17(20(2)3)9-11-21-12-10-17/h5-8,16,19H,4,9-13H2,1-3H3/t16-/m1/s1
InChIKeyYOOYSCQODXIZLZ-MRXNPFEDSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
CID 99820181
4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 115994404
1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415705
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415724
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111783643
1-(2-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 112634306
N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210182
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyloxolan-3-amine
CID 63335288
N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
CID 112639555
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine?
The IUPAC name of 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine (CID 99852122) is 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine?
The canonical SMILES for 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine is CC[C@@H](NCC1(N(C)C)CCOCC1)c1ccccc1F.
What is the InChIKey of 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine?
The InChIKey is YOOYSCQODXIZLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-16(14-7-5-6-8-15(14)18)19-13-17(20(2)3)9-11-21-12-10-17/h5-8,16,19H,4,9-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine?
4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine has a molecular weight of 294.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 99852122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).