4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline

C17H21FN2 — CID 63785098

IUPAC4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(CC(C)N)cc1F
InChIInChI=1S/C17H21FN2/c1-3-20(15-7-5-4-6-8-15)17-10-9-14(11-13(2)19)12-16(17)18/h4-10,12-13H,3,11,19H2,1-2H3
InChIKeyZTAXJPBYTFKXHK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.87
Rot. Bonds5

About 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline

4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline (PubChem CID 63785098) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
PubChem CID63785098
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(CC(C)N)cc1F
InChIInChI=1S/C17H21FN2/c1-3-20(15-7-5-4-6-8-15)17-10-9-14(11-13(2)19)12-16(17)18/h4-10,12-13H,3,11,19H2,1-2H3
InChIKeyZTAXJPBYTFKXHK-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
CID 63370665
N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
CID 63785925
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
CID 78934620
4-(2-aminopropyl)-N-[4-(2-aminopropyl)phenyl]-N-phenylaniline
CID 170864530
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
CID 64585981
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline (CID 63785098) is 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline is CCN(c1ccccc1)c1ccc(CC(C)N)cc1F.
What is the InChIKey of 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline?
The InChIKey is ZTAXJPBYTFKXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-20(15-7-5-4-6-8-15)17-10-9-14(11-13(2)19)12-16(17)18/h4-10,12-13H,3,11,19H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline?
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline is sourced from PubChem (CID 63785098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).