N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine

C13H19FN2O — CID 82753960

IUPACN-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
SMILESCN(c1ccc(F)cc1CCN)C1CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(12-5-7-17-9-12)13-3-2-11(14)8-10(13)4-6-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyLSTFSMQXGODCDA-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine

N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine (PubChem CID 82753960) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
PubChem CID82753960
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
SMILESCN(c1ccc(F)cc1CCN)C1CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(12-5-7-17-9-12)13-3-2-11(14)8-10(13)4-6-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyLSTFSMQXGODCDA-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine
CID 82742861
N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine
CID 139410309
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
3-fluoro-4-[methyl(oxolan-3-yl)amino]benzoic acid
CID 82739555
N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine
CID 114852955
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine
CID 82741003
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55236190
N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
CID 43610591
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 107878596
1-(2-bromo-4-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 114059969
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
CID 82740352

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine (CID 82753960) is N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine is CN(c1ccc(F)cc1CCN)C1CCOC1.
What is the InChIKey of N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine?
The InChIKey is LSTFSMQXGODCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-5-7-17-9-12)13-3-2-11(14)8-10(13)4-6-15/h2-3,8,12H,4-7,9,15H2,1H3.
What are the key properties of N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine?
N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82753960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).