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

C17H20F2N2 — CID 63816503

IUPAC2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
SMILESCCN(c1ccccc1F)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C17H20F2N2/c1-3-21(17-7-5-4-6-15(17)19)16-9-8-14(18)11-13(16)10-12(2)20/h4-9,11-12H,3,10,20H2,1-2H3
InChIKeyPXMXPPUKAHCQKH-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.01
Rot. Bonds5

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

2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline (PubChem CID 63816503) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
PubChem CID63816503
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
SMILESCCN(c1ccccc1F)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C17H20F2N2/c1-3-21(17-7-5-4-6-15(17)19)16-9-8-14(18)11-13(16)10-12(2)20/h4-9,11-12H,3,10,20H2,1-2H3
InChIKeyPXMXPPUKAHCQKH-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
CID 63785098
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
2-(2-aminopropyl)-N-ethyl-N-(4-methylphenyl)aniline
CID 63816327
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 63795748
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
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-fluorophenyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline (CID 63816503) is 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline is CCN(c1ccccc1F)c1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline?
The InChIKey is PXMXPPUKAHCQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-21(17-7-5-4-6-15(17)19)16-9-8-14(18)11-13(16)10-12(2)20/h4-9,11-12H,3,10,20H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline?
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline has a molecular weight of 290.36 g/mol, XLogP of 4.01, 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-fluorophenyl)aniline is sourced from PubChem (CID 63816503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).