4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline

C14H11ClF3NO — CID 142711627

IUPAC4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NOCc2ccccc2)ccc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-13-7-6-11(8-12(13)14(16,17)18)19-20-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyVHWNLTCRYJMXLI-UHFFFAOYSA-N
MW301.69 g/mol
LogP4.90
Rot. Bonds4

About 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline

4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline (PubChem CID 142711627) has the molecular formula C14H11ClF3NO and a molecular weight of 301.69 g/mol. Its IUPAC name is 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline
PubChem CID142711627
Molecular FormulaC14H11ClF3NO
Molecular Weight301.69 g/mol
Exact Mass301.05
IUPAC Name4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NOCc2ccccc2)ccc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-13-7-6-11(8-12(13)14(16,17)18)19-20-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyVHWNLTCRYJMXLI-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-Amino-2-chlorophenyl)methanol
CID 13567962
4-Chloro-3-(methoxymethyl)aniline
CID 43169102
4-Chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline
CID 10755889
(5-Amino-2-chloro-4-fluorophenyl)methanol
CID 13629753
4-Chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline
CID 15766988
4-Chloro-2-fluoro-5-(methoxymethyl)aniline
CID 19047142
4-Chloro-3-(2,2,2-trifluoroethoxymethyl)aniline
CID 19812476
4-Chloro-3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)aniline
CID 19812479
4-Chloro-5-ethoxymethyl-2-fluoroaniline
CID 20032371
1-Chloro-4-nitro-2-(2,2,3,3-tetrafluoropropoxymethyl)benzene
CID 43169228
N-[difluoro(phenyl)methoxy]aniline
CID 53677104
4-Chloro-3-(2,2,3,4,4,4-hexafluorobutoxymethyl)aniline
CID 53862515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline (CID 142711627) is 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NOCc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline?
The InChIKey is VHWNLTCRYJMXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-13-7-6-11(8-12(13)14(16,17)18)19-20-9-10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline?
4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline has a molecular weight of 301.69 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenylmethoxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 142711627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).