N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline

C15H13F4N — CID 63535412

IUPACN-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESFc1cccc(CCNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F4N/c16-12-5-3-4-11(10-12)8-9-20-14-7-2-1-6-13(14)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyNUCLZRMLGZXKLO-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.50
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline

N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 63535412) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID63535412
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESFc1cccc(CCNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F4N/c16-12-5-3-4-11(10-12)8-9-20-14-7-2-1-6-13(14)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyNUCLZRMLGZXKLO-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 65483223
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
4-N-[2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564151
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
2-bromo-6-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 114887893
4-amino-3-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 82785461
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51102231
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline (CID 63535412) is N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline is Fc1cccc(CCNc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is NUCLZRMLGZXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c16-12-5-3-4-11(10-12)8-9-20-14-7-2-1-6-13(14)15(17,18)19/h1-7,10,20H,8-9H2.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 283.27 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 63535412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).