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

C14H12Cl2FN — CID 63420408

IUPAC4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-6-11(15)3-5-14(9)18-8-10-2-4-12(16)13(17)7-10/h2-7,18H,8H2,1H3
InChIKeyMCFCMMNDNHKTCD-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

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

4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline (PubChem CID 63420408) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
PubChem CID63420408
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-6-11(15)3-5-14(9)18-8-10-2-4-12(16)13(17)7-10/h2-7,18H,8H2,1H3
InChIKeyMCFCMMNDNHKTCD-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

4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
N-[(3-bromo-4-chlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 83235362
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517
2-chloro-4-N-[(3,4-difluorophenyl)methyl]-5-methylbenzene-1,4-diamine
CID 115554741
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline (CID 63420408) is 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline is Cc1cc(Cl)ccc1NCc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is MCFCMMNDNHKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-6-11(15)3-5-14(9)18-8-10-2-4-12(16)13(17)7-10/h2-7,18H,8H2,1H3.
What are the key properties of 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline?
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-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 4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 63420408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).