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

C17H28FN3 — CID 105418519

IUPAC4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)CC2(N(C)C)CCC2)c(F)c1
InChIInChI=1S/C17H28FN3/c1-13(19)10-14-6-7-16(15(18)11-14)21(4)12-17(20(2)3)8-5-9-17/h6-7,11,13H,5,8-10,12,19H2,1-4H3
InChIKeyORPRAIPMXVTLFZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.64
Rot. Bonds6

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

4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline (PubChem CID 105418519) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
PubChem CID105418519
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)CC2(N(C)C)CCC2)c(F)c1
InChIInChI=1S/C17H28FN3/c1-13(19)10-14-6-7-16(15(18)11-14)21(4)12-17(20(2)3)8-5-9-17/h6-7,11,13H,5,8-10,12,19H2,1-4H3
InChIKeyORPRAIPMXVTLFZ-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105415152
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793780
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415634
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415669
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
CID 105415694
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
CID 105418560
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 63793431
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline (CID 105418519) is 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline is CC(N)Cc1ccc(N(C)CC2(N(C)C)CCC2)c(F)c1.
What is the InChIKey of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
The InChIKey is ORPRAIPMXVTLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-13(19)10-14-6-7-16(15(18)11-14)21(4)12-17(20(2)3)8-5-9-17/h6-7,11,13H,5,8-10,12,19H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline?
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline has a molecular weight of 293.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 105418519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).