N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline

C19H20F3N — CID 156557662

IUPACN,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline
SMILESCN(C)c1cccc(-c2ccc(C3(C(F)(F)F)CCC3)cc2)c1
InChIInChI=1S/C19H20F3N/c1-23(2)17-6-3-5-15(13-17)14-7-9-16(10-8-14)18(11-4-12-18)19(20,21)22/h3,5-10,13H,4,11-12H2,1-2H3
InChIKeyQNEBYQRIMFRNSY-UHFFFAOYSA-N
MW319.37 g/mol
LogP5.40
Rot. Bonds3

About N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline

N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline (PubChem CID 156557662) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline
PubChem CID156557662
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline
SMILESCN(C)c1cccc(-c2ccc(C3(C(F)(F)F)CCC3)cc2)c1
InChIInChI=1S/C19H20F3N/c1-23(2)17-6-3-5-15(13-17)14-7-9-16(10-8-14)18(11-4-12-18)19(20,21)22/h3,5-10,13H,4,11-12H2,1-2H3
InChIKeyQNEBYQRIMFRNSY-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline?
The IUPAC name of N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline (CID 156557662) is N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline is CN(C)c1cccc(-c2ccc(C3(C(F)(F)F)CCC3)cc2)c1.
What is the InChIKey of N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline?
The InChIKey is QNEBYQRIMFRNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c1-23(2)17-6-3-5-15(13-17)14-7-9-16(10-8-14)18(11-4-12-18)19(20,21)22/h3,5-10,13H,4,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline?
N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline has a molecular weight of 319.37 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[1-(trifluoromethyl)cyclobutyl]phenyl]aniline is sourced from PubChem (CID 156557662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).