N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine

C16H16F3NO — CID 142071235

IUPACN,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESCN(C)Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3NO/c1-20(2)11-12-5-3-7-14(9-12)21-15-8-4-6-13(10-15)16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyQZZVOQCSDSPGHX-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.56
Rot. Bonds4

About N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine

N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine (PubChem CID 142071235) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
PubChem CID142071235
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESCN(C)Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3NO/c1-20(2)11-12-5-3-7-14(9-12)21-15-8-4-6-13(10-15)16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyQZZVOQCSDSPGHX-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine
CID 145011453
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995318
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
1,1-dimethyl-3-[3-[3-(trifluoromethyl)phenoxy]phenyl]urea
CID 70613271
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine (CID 142071235) is N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine is CN(C)Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
The InChIKey is QZZVOQCSDSPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20(2)11-12-5-3-7-14(9-12)21-15-8-4-6-13(10-15)16(17,18)19/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 142071235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).