2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline

C13H19FN2 — CID 104873538

IUPAC2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
SMILESC[C@@H](N)c1c(F)cccc1N(C)C1CCC1
InChIInChI=1S/C13H19FN2/c1-9(15)13-11(14)7-4-8-12(13)16(2)10-5-3-6-10/h4,7-10H,3,5-6,15H2,1-2H3/t9-/m1/s1
InChIKeyMXOYLQJYYPEAME-SECBINFHSA-N
MW222.31 g/mol
LogP2.83
Rot. Bonds3

About 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline

2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline (PubChem CID 104873538) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
PubChem CID104873538
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
SMILESC[C@@H](N)c1c(F)cccc1N(C)C1CCC1
InChIInChI=1S/C13H19FN2/c1-9(15)13-11(14)7-4-8-12(13)16(2)10-5-3-6-10/h4,7-10H,3,5-6,15H2,1-2H3/t9-/m1/s1
InChIKeyMXOYLQJYYPEAME-SECBINFHSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188
2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
CID 114065952
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline (CID 104873538) is 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline is C[C@@H](N)c1c(F)cccc1N(C)C1CCC1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline?
The InChIKey is MXOYLQJYYPEAME-SECBINFHSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(15)13-11(14)7-4-8-12(13)16(2)10-5-3-6-10/h4,7-10H,3,5-6,15H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline?
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline is sourced from PubChem (CID 104873538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).