2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline

C14H12Cl2FN — CID 107634827

IUPAC2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2cccc(F)c2Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-5-6-11(15)13(7-9)18-8-10-3-2-4-12(17)14(10)16/h2-7,18H,8H2,1H3
InChIKeyXNTNQISDZLQNHH-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline

2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline (PubChem CID 107634827) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
PubChem CID107634827
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2cccc(F)c2Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-5-6-11(15)13(7-9)18-8-10-3-2-4-12(17)14(10)16/h2-7,18H,8H2,1H3
InChIKeyXNTNQISDZLQNHH-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

2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770
2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
CID 107631121
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline
CID 112651771
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
4-[(2-chloro-5-methylanilino)methyl]-3-fluorobenzonitrile
CID 103768039
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline (CID 107634827) is 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline is Cc1ccc(Cl)c(NCc2cccc(F)c2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline?
The InChIKey is XNTNQISDZLQNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-5-6-11(15)13(7-9)18-8-10-3-2-4-12(17)14(10)16/h2-7,18H,8H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline?
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-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 2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107634827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).