N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine

C14H21FN2O — CID 114058774

IUPACN-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1c(F)cccc1[C@@H](C)N
InChIInChI=1S/C14H21FN2O/c1-9(16)11-5-4-6-12(15)14(11)17(3)13-7-8-18-10(13)2/h4-6,9-10,13H,7-8,16H2,1-3H3/t9-,10?,13?/m1/s1
InChIKeyNVPXKYSUMOOPMQ-TTXORMCVSA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds3

About N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine

N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 114058774) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine
PubChem CID114058774
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1c(F)cccc1[C@@H](C)N
InChIInChI=1S/C14H21FN2O/c1-9(16)11-5-4-6-12(15)14(11)17(3)13-7-8-18-10(13)2/h4-6,9-10,13H,7-8,16H2,1-3H3/t9-,10?,13?/m1/s1
InChIKeyNVPXKYSUMOOPMQ-TTXORMCVSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 114059222
N-[2-[(1S)-1-aminoethyl]-6-fluorophenyl]-N-methyloxan-4-amine
CID 114058651
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
N,2-dimethyl-N-[2-[1-(methylamino)ethyl]phenyl]oxolan-3-amine
CID 82740072
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779
(1R)-1-[2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742779
1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
CID 82739978
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
CID 82742641
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739891

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine (CID 114058774) is N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)c1c(F)cccc1[C@@H](C)N.
What is the InChIKey of N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is NVPXKYSUMOOPMQ-TTXORMCVSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(16)11-5-4-6-12(15)14(11)17(3)13-7-8-18-10(13)2/h4-6,9-10,13H,7-8,16H2,1-3H3/t9-,10?,13?/m1/s1.
What are the key properties of N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine?
N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 114058774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).