2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline

C14H20F4N2 — CID 63795748

IUPAC2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(N)Cc1cc(F)ccc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H20F4N2/c1-9(2)20(8-14(16,17)18)13-5-4-12(15)7-11(13)6-10(3)19/h4-5,7,9-10H,6,8,19H2,1-3H3
InChIKeyBPVXAAGOIWXRTA-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.49
Rot. Bonds5

About 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline

2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 63795748) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID63795748
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(N)Cc1cc(F)ccc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H20F4N2/c1-9(2)20(8-14(16,17)18)13-5-4-12(15)7-11(13)6-10(3)19/h4-5,7,9-10H,6,8,19H2,1-3H3
InChIKeyBPVXAAGOIWXRTA-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 147165648
5-fluoro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 55010527
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
4-fluoro-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006653
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 114861047
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (CID 63795748) is 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is CC(N)Cc1cc(F)ccc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is BPVXAAGOIWXRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-9(2)20(8-14(16,17)18)13-5-4-12(15)7-11(13)6-10(3)19/h4-5,7,9-10H,6,8,19H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 292.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 63795748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).