N-[[3-(trifluoromethoxy)phenyl]methyl]aniline

C14H12F3NO — CID 83335491

IUPACN-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)19-13-8-4-5-11(9-13)10-18-12-6-2-1-3-7-12/h1-9,18H,10H2
InChIKeyJNSDETLAJSQKMB-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.20
Rot. Bonds4

About N-[[3-(trifluoromethoxy)phenyl]methyl]aniline

N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 83335491) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID83335491
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)19-13-8-4-5-11(9-13)10-18-12-6-2-1-3-7-12/h1-9,18H,10H2
InChIKeyJNSDETLAJSQKMB-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
2-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenoxy]propanoic acid
CID 142113374
5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 103824040
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]aniline
CID 141062749
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[2-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]aniline
CID 91270383
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342163
2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (CID 83335491) is N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is FC(F)(F)Oc1cccc(CNc2ccccc2)c1.
What is the InChIKey of N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is JNSDETLAJSQKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)19-13-8-4-5-11(9-13)10-18-12-6-2-1-3-7-12/h1-9,18H,10H2.
What are the key properties of N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 267.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 83335491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).