N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline

C14H10Cl2F3NO — CID 28513031

IUPACN-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3NO/c15-10-6-5-9(7-11(10)16)8-20-12-3-1-2-4-13(12)21-14(17,18)19/h1-7,20H,8H2
InChIKeyNKIYEGAFSGBZJT-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.50
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline

N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline (PubChem CID 28513031) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
PubChem CID28513031
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3NO/c15-10-6-5-9(7-11(10)16)8-20-12-3-1-2-4-13(12)21-14(17,18)19/h1-7,20H,8H2
InChIKeyNKIYEGAFSGBZJT-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-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29291752
N-[(5-fluoro-3-pyridinyl)methyl]-2-(trifluoromethoxy)aniline
CID 104953861
2-bromo-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342183
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
2-[2-[(3,4-dichlorophenyl)methylamino]phenyl]acetamide
CID 43738436
5-[[2-(trifluoromethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63316722
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
N-[(3-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 43689179
N-[(3,4-dichlorophenyl)methyl]-2,4,5-trifluoroaniline
CID 63476489
5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103233523

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline (CID 28513031) is N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline is FC(F)(F)Oc1ccccc1NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
The InChIKey is NKIYEGAFSGBZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c15-10-6-5-9(7-11(10)16)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-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline?
N-[(3,4-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-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 28513031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).