N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline

C16H16F3NO — CID 43111586

IUPACN-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
SMILESCc1ccccc1C(C)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-11-7-3-4-8-13(11)12(2)20-14-9-5-6-10-15(14)21-16(17,18)19/h3-10,12,20H,1-2H3
InChIKeyNJFHSAMDBUYMKO-UHFFFAOYSA-N
MW295.30 g/mol
LogP5.07
Rot. Bonds4

About N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline

N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline (PubChem CID 43111586) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
PubChem CID43111586
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
SMILESCc1ccccc1C(C)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-11-7-3-4-8-13(11)12(2)20-14-9-5-6-10-15(14)21-16(17,18)19/h3-10,12,20H,1-2H3
InChIKeyNJFHSAMDBUYMKO-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
CID 43105351
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43096414
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline (CID 43111586) is N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline is Cc1ccccc1C(C)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline?
The InChIKey is NJFHSAMDBUYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-7-3-4-8-13(11)12(2)20-14-9-5-6-10-15(14)21-16(17,18)19/h3-10,12,20H,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline?
N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline has a molecular weight of 295.30 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 43111586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).