N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline

C16H17F2N — CID 115525983

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H17F2N/c1-2-13-7-3-4-9-15(13)19-11-12-6-5-8-14(10-12)16(17)18/h3-10,16,19H,2,11H2,1H3
InChIKeyPTKCNQMIKRCBBM-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.80
Rot. Bonds5

About N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline

N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline (PubChem CID 115525983) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
PubChem CID115525983
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H17F2N/c1-2-13-7-3-4-9-15(13)19-11-12-6-5-8-14(10-12)16(17)18/h3-10,16,19H,2,11H2,1H3
InChIKeyPTKCNQMIKRCBBM-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
CID 113328691
1-N-[[3-(difluoromethyl)phenyl]methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115526242
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
2-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526100
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
3-[[3-(difluoromethyl)phenyl]methylamino]-2-methylbenzoic acid
CID 115526266
N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
CID 115526620
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline (CID 115525983) is N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline is CCc1ccccc1NCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline?
The InChIKey is PTKCNQMIKRCBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-13-7-3-4-9-15(13)19-11-12-6-5-8-14(10-12)16(17)18/h3-10,16,19H,2,11H2,1H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline?
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline has a molecular weight of 261.32 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline is sourced from PubChem (CID 115525983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).