2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline

C10H13F3N2 — CID 105472048

IUPAC2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline
SMILESCNCCc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2/c1-15-5-4-7-2-3-8(6-9(7)14)10(11,12)13/h2-3,6,15H,4-5,14H2,1H3
InChIKeyIIVMJHGEHBMYTD-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.05
Rot. Bonds3

About 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline

2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline (PubChem CID 105472048) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline
PubChem CID105472048
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline
SMILESCNCCc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2/c1-15-5-4-7-2-3-8(6-9(7)14)10(11,12)13/h2-3,6,15H,4-5,14H2,1H3
InChIKeyIIVMJHGEHBMYTD-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline
CID 174478916
2-propyl-5-(trifluoromethyl)aniline
CID 105455059
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
1-[2-amino-4-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890869
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-[4-(methylamino)but-1-enyl]-4-(trifluoromethyl)aniline
CID 170496362
1-[2-amino-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890868
N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 120843617
2-(2H-tetrazol-5-ylmethyl)-5-(trifluoromethyl)aniline
CID 71446304
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
2-[2-(methylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline
CID 10828902
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline (CID 105472048) is 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline is CNCCc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is IIVMJHGEHBMYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15-5-4-7-2-3-8(6-9(7)14)10(11,12)13/h2-3,6,15H,4-5,14H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline?
2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 218.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 105472048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).