N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine

C14H21FN2O — CID 82739979

IUPACN-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C14H21FN2O/c1-9(16)12-8-11(15)4-5-14(12)17(3)13-6-7-18-10(13)2/h4-5,8-10,13H,6-7,16H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyKLCHWRJMJJQNIO-JBLZRFIASA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds3

About N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine

N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82739979) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82739979
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C14H21FN2O/c1-9(16)12-8-11(15)4-5-14(12)17(3)13-6-7-18-10(13)2/h4-5,8-10,13H,6-7,16H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyKLCHWRJMJJQNIO-JBLZRFIASA-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

2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55189609
N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739891
N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 114058774
1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
(1R)-1-[2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742779
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
N,2-dimethyl-N-[2-[1-(methylamino)ethyl]phenyl]oxolan-3-amine
CID 82740072
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198
(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742935
1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 114059222

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine (CID 82739979) is N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)c1ccc(F)cc1[C@H](C)N.
What is the InChIKey of N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is KLCHWRJMJJQNIO-JBLZRFIASA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(16)12-8-11(15)4-5-14(12)17(3)13-6-7-18-10(13)2/h4-5,8-10,13H,6-7,16H2,1-3H3/t9-,10?,13?/m0/s1.
What are the key properties of N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine?
N-[2-[(1S)-1-aminoethyl]-4-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-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82739979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).