N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron

C13H19F3N+ — CID 175261981

IUPACN-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
SMILESCCN(C)C(C)Cc1cccc(C(F)(F)F)c1.[H+]
InChIInChI=1S/C13H18F3N/c1-4-17(3)10(2)8-11-6-5-7-12(9-11)13(14,15)16/h5-7,9-10H,4,8H2,1-3H3/p+1
InChIKeyKNELLTQVCHKYBM-UHFFFAOYSA-O
MW246.30 g/mol
LogP3.70
Rot. Bonds4

About N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron

N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron (PubChem CID 175261981) has the molecular formula C13H19F3N+ and a molecular weight of 246.30 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
PubChem CID175261981
Molecular FormulaC13H19F3N+
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC NameN-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
SMILESCCN(C)C(C)Cc1cccc(C(F)(F)F)c1.[H+]
InChIInChI=1S/C13H18F3N/c1-4-17(3)10(2)8-11-6-5-7-12(9-11)13(14,15)16/h5-7,9-10H,4,8H2,1-3H3/p+1
InChIKeyKNELLTQVCHKYBM-UHFFFAOYSA-O
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] acetate
CID 3024373
3-(dimethylamino)-3-ethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 79058378
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
CID 5218719
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 103109740

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron?
The IUPAC name of N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron (CID 175261981) is N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron.
What is the SMILES notation for N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron?
The canonical SMILES for N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron is CCN(C)C(C)Cc1cccc(C(F)(F)F)c1.[H+].
What is the InChIKey of N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron?
The InChIKey is KNELLTQVCHKYBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18F3N/c1-4-17(3)10(2)8-11-6-5-7-12(9-11)13(14,15)16/h5-7,9-10H,4,8H2,1-3H3/p+1.
What are the key properties of N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron?
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron has a molecular weight of 246.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron is sourced from PubChem (CID 175261981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).