4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline

C16H26FN3 — CID 105415152

IUPAC4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)CC2(N(C)C)CCC2)c(F)c1
InChIInChI=1S/C16H26FN3/c1-12(18)13-6-7-15(14(17)10-13)20(4)11-16(19(2)3)8-5-9-16/h6-7,10,12H,5,8-9,11,18H2,1-4H3/t12-/m1/s1
InChIKeyOVXRTNGQSOTWEQ-GFCCVEGCSA-N
MW279.40 g/mol
LogP2.77
Rot. Bonds5

About 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline

4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline (PubChem CID 105415152) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
PubChem CID105415152
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)CC2(N(C)C)CCC2)c(F)c1
InChIInChI=1S/C16H26FN3/c1-12(18)13-6-7-15(14(17)10-13)20(4)11-16(19(2)3)8-5-9-16/h6-7,10,12H,5,8-9,11,18H2,1-4H3/t12-/m1/s1
InChIKeyOVXRTNGQSOTWEQ-GFCCVEGCSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105418519
4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950051
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
CID 105415694
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline (CID 105415152) is 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline is C[C@@H](N)c1ccc(N(C)CC2(N(C)C)CCC2)c(F)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
The InChIKey is OVXRTNGQSOTWEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12(18)13-6-7-15(14(17)10-13)20(4)11-16(19(2)3)8-5-9-16/h6-7,10,12H,5,8-9,11,18H2,1-4H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline has a molecular weight of 279.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 105415152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).