3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline

C14H12Cl2FN — CID 114841284

IUPAC3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H12Cl2FN/c1-9-2-5-12(7-13(9)16)18-8-10-3-4-11(15)6-14(10)17/h2-7,18H,8H2,1H3
InChIKeyVFMCOPNXGCNNDN-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline

3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline (PubChem CID 114841284) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
PubChem CID114841284
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H12Cl2FN/c1-9-2-5-12(7-13(9)16)18-8-10-3-4-11(15)6-14(10)17/h2-7,18H,8H2,1H3
InChIKeyVFMCOPNXGCNNDN-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

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Related Compounds

3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
3-chloro-4-methylaniline;methyl 4-[(3-chloro-4-methylanilino)methyl]-3-fluorobenzoate
CID 159494667
N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-3-methoxyaniline
CID 114842580
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418316
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
CID 66540125
N-[(4-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 114841875

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline (CID 114841284) is 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(Cl)cc2F)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline?
The InChIKey is VFMCOPNXGCNNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-2-5-12(7-13(9)16)18-8-10-3-4-11(15)6-14(10)17/h2-7,18H,8H2,1H3.
What are the key properties of 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline?
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-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 3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 114841284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).