4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline

C11H15F3N2 — CID 78934960

IUPAC4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESC[C@@H](N)c1ccc(N(C)CC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-8(15)9-3-5-10(6-4-9)16(2)7-11(12,13)14/h3-6,8H,7,15H2,1-2H3/t8-/m1/s1
InChIKeyHPANCRMODMIAST-MRVPVSSYSA-N
MW232.25 g/mol
LogP2.70
Rot. Bonds3

About 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline

4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 78934960) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID78934960
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESC[C@@H](N)c1ccc(N(C)CC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-8(15)9-3-5-10(6-4-9)16(2)7-11(12,13)14/h3-6,8H,7,15H2,1-2H3/t8-/m1/s1
InChIKeyHPANCRMODMIAST-MRVPVSSYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[(4-methylphenyl)-[4-[methyl(2,2,2-trifluoroethyl)amino]phenyl]methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 100990166
6-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 83122822
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 60890448
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
CID 61427308
(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 96762163
N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 115257828

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 78934960) is 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline is C[C@@H](N)c1ccc(N(C)CC(F)(F)F)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is HPANCRMODMIAST-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-8(15)9-3-5-10(6-4-9)16(2)7-11(12,13)14/h3-6,8H,7,15H2,1-2H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 232.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 78934960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).