4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline

C13H17F5N2 — CID 63795420

IUPAC4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C13H17F5N2/c1-3-20(7-13(16,17)18)12-10(14)5-9(4-8(2)19)6-11(12)15/h5-6,8H,3-4,7,19H2,1-2H3
InChIKeyZHFNKTSBCOAPAA-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.24
Rot. Bonds5

About 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline

4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 63795420) has the molecular formula C13H17F5N2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID63795420
Molecular FormulaC13H17F5N2
Molecular Weight296.28 g/mol
Exact Mass296.13
IUPAC Name4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C13H17F5N2/c1-3-20(7-13(16,17)18)12-10(14)5-9(4-8(2)19)6-11(12)15/h5-6,8H,3-4,7,19H2,1-2H3
InChIKeyZHFNKTSBCOAPAA-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline
CID 79479930
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55010761
4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 63815627
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine
CID 83165498

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline (CID 63795420) is 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is ZHFNKTSBCOAPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5N2/c1-3-20(7-13(16,17)18)12-10(14)5-9(4-8(2)19)6-11(12)15/h5-6,8H,3-4,7,19H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline?
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 296.28 g/mol, XLogP of 3.24, 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-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 63795420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).