N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C16H20F3N — CID 43111630

IUPACN-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-10(20-15(11-6-7-11)12-8-9-12)13-4-2-3-5-14(13)16(17,18)19/h2-5,10-12,15,20H,6-9H2,1H3
InChIKeyPTHFTESJMWYOMO-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.54
Rot. Bonds5

About N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43111630) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID43111630
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-10(20-15(11-6-7-11)12-8-9-12)13-4-2-3-5-14(13)16(17,18)19/h2-5,10-12,15,20H,6-9H2,1H3
InChIKeyPTHFTESJMWYOMO-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 115672845
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine
CID 80716875
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile
CID 62647462
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 43111630) is N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is CC(NC(C1CC1)C1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PTHFTESJMWYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-10(20-15(11-6-7-11)12-8-9-12)13-4-2-3-5-14(13)16(17,18)19/h2-5,10-12,15,20H,6-9H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43111630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).