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

C17H22FN3 — CID 63793781

IUPAC2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(N)Cc1cc(F)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C17H22FN3/c1-13(19)11-15-12-16(18)3-4-17(15)21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,12-13H,7,10-11,19H2,1-2H3
InChIKeyLHDSQUNVTOHPBN-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.79
Rot. Bonds6

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

2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 63793781) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID63793781
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(N)Cc1cc(F)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C17H22FN3/c1-13(19)11-15-12-16(18)3-4-17(15)21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,12-13H,7,10-11,19H2,1-2H3
InChIKeyLHDSQUNVTOHPBN-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-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793780
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 78934572
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
2-(2-aminopropyl)-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 63815488
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82971650
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
4-(chloromethyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 54944105
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 63793781) is 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CC(N)Cc1cc(F)ccc1N(C)CCc1ccncc1.
What is the InChIKey of 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is LHDSQUNVTOHPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(19)11-15-12-16(18)3-4-17(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 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
2-(2-aminopropyl)-4-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 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 63793781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).