4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C17H22FN3 — CID 63793780

IUPAC4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(N)Cc1ccc(N(C)CCc2ccncc2)c(F)c1
InChIInChI=1S/C17H22FN3/c1-13(19)11-15-3-4-17(16(18)12-15)21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,12-13H,7,10-11,19H2,1-2H3
InChIKeyCENIJYGHDUKJHD-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.79
Rot. Bonds6

About 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 63793780) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID63793780
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(N)Cc1ccc(N(C)CCc2ccncc2)c(F)c1
InChIInChI=1S/C17H22FN3/c1-13(19)11-15-3-4-17(16(18)12-15)21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,12-13H,7,10-11,19H2,1-2H3
InChIKeyCENIJYGHDUKJHD-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 78934572
4-(chloromethyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 54944105
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
CID 78939866
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82971650
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105418519
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
CID 63785639

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 63793780) is 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CC(N)Cc1ccc(N(C)CCc2ccncc2)c(F)c1.
What is the InChIKey of 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is CENIJYGHDUKJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(19)11-15-3-4-17(16(18)12-15)21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,12-13H,7,10-11,19H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 287.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 63793780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).