N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline

C14H12Cl2FN — CID 63454346

IUPACN-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-13(17)3-2-4-14(9)18-8-10-5-11(15)7-12(16)6-10/h2-7,18H,8H2,1H3
InChIKeyLPHOTZVWKUXCLT-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline

N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline (PubChem CID 63454346) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
PubChem CID63454346
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-13(17)3-2-4-14(9)18-8-10-5-11(15)7-12(16)6-10/h2-7,18H,8H2,1H3
InChIKeyLPHOTZVWKUXCLT-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.16
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
CID 63452474
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057
N-[[4-(diethylamino)phenyl]methyl]-3-fluoro-2-methylaniline
CID 63454872
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
CID 63454865
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline (CID 63454346) is N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline is Cc1c(F)cccc1NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline?
The InChIKey is LPHOTZVWKUXCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-13(17)3-2-4-14(9)18-8-10-5-11(15)7-12(16)6-10/h2-7,18H,8H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline?
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline has a molecular weight of 284.16 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline is sourced from PubChem (CID 63454346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).