N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline

C14H10Cl2F3NO — CID 29291752

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c15-10-6-5-9(11(16)7-10)8-20-12-3-1-2-4-13(12)21-14(17,18)19/h1-7,20H,8H2
InChIKeyAQNQAZYZRLSXAT-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.50
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline

N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline (PubChem CID 29291752) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
PubChem CID29291752
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c15-10-6-5-9(11(16)7-10)8-20-12-3-1-2-4-13(12)21-14(17,18)19/h1-7,20H,8H2
InChIKeyAQNQAZYZRLSXAT-UHFFFAOYSA-N
XLogP5.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 28513031
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
1-(5-chloro-2-methylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 74229487

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline (CID 29291752) is N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline is FC(F)(F)Oc1ccccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
The InChIKey is AQNQAZYZRLSXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c15-10-6-5-9(11(16)7-10)8-20-12-3-1-2-4-13(12)21-14(17,18)19/h1-7,20H,8H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline has a molecular weight of 336.14 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 29291752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).