2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline

C18H23FN2 — CID 63786090

IUPAC2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C18H23FN2/c1-4-21(17-8-6-5-7-13(17)2)18-10-9-16(19)12-15(18)11-14(3)20/h5-10,12,14H,4,11,20H2,1-3H3
InChIKeyPNIYXBPPMRYZCW-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.18
Rot. Bonds5

About 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline

2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline (PubChem CID 63786090) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
PubChem CID63786090
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C18H23FN2/c1-4-21(17-8-6-5-7-13(17)2)18-10-9-16(19)12-15(18)11-14(3)20/h5-10,12,14H,4,11,20H2,1-3H3
InChIKeyPNIYXBPPMRYZCW-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 114860300
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
CID 63785925
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
2-(2-aminopropyl)-N-ethyl-N-(4-methylphenyl)aniline
CID 63816327
1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
CID 28556004
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
2-(bromomethyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 107079476

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline (CID 63786090) is 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline is CCN(c1ccccc1C)c1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline?
The InChIKey is PNIYXBPPMRYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21(17-8-6-5-7-13(17)2)18-10-9-16(19)12-15(18)11-14(3)20/h5-10,12,14H,4,11,20H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline?
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline has a molecular weight of 286.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline is sourced from PubChem (CID 63786090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).