2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline

C15H13ClF3NO — CID 63668109

IUPAC2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-13-10-11(15(17,18)19)6-7-14(13)20-8-9-21-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
InChIKeySDQRPJFNWOMERT-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.85
Rot. Bonds5

About 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline

2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline (PubChem CID 63668109) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
PubChem CID63668109
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-13-10-11(15(17,18)19)6-7-14(13)20-8-9-21-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
InChIKeySDQRPJFNWOMERT-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)aniline
CID 112589100
2-chloro-N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)aniline
CID 106452025
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919
N'-tert-butyl-N-[2-chloro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107445058
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide
CID 90518166
2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 43714578
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
2-chloro-N-(2-propan-2-ylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 114268596
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
3-chloro-4-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 63086974
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
CID 54939816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline (CID 63668109) is 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline?
The InChIKey is SDQRPJFNWOMERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-13-10-11(15(17,18)19)6-7-14(13)20-8-9-21-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2.
What are the key properties of 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline has a molecular weight of 315.72 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63668109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).