N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline

C16H17F2N — CID 115525992

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cccc(C(F)F)c2)c1C
InChIInChI=1S/C16H17F2N/c1-11-5-3-8-15(12(11)2)19-10-13-6-4-7-14(9-13)16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyUMRLAYSGDPPVKB-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.85
Rot. Bonds4

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

N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline (PubChem CID 115525992) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
PubChem CID115525992
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cccc(C(F)F)c2)c1C
InChIInChI=1S/C16H17F2N/c1-11-5-3-8-15(12(11)2)19-10-13-6-4-7-14(9-13)16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyUMRLAYSGDPPVKB-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[3-(difluoromethyl)phenyl]methylamino]-2-methylbenzoic acid
CID 115526266
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
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]-2,6-dimethylpyridin-3-amine
CID 115526620
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813
N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
2-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526100
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
CID 115526695

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline (CID 115525992) is N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline is Cc1cccc(NCc2cccc(C(F)F)c2)c1C.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline?
The InChIKey is UMRLAYSGDPPVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-5-3-8-15(12(11)2)19-10-13-6-4-7-14(9-13)16(17)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline?
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.85, 4 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]-2,3-dimethylaniline is sourced from PubChem (CID 115525992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).