2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline

C14H12Cl2FN — CID 114841500

IUPAC2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(Cl)ccc2F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-2-5-14(12(16)6-9)18-8-10-7-11(15)3-4-13(10)17/h2-7,18H,8H2,1H3
InChIKeyYDDWSCGIUJQYAX-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline

2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline (PubChem CID 114841500) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
PubChem CID114841500
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(Cl)ccc2F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-2-5-14(12(16)6-9)18-8-10-7-11(15)3-4-13(10)17/h2-7,18H,8H2,1H3
InChIKeyYDDWSCGIUJQYAX-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]aniline
CID 114053756
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126354
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-chloro-4-methylphenyl)thiourea
CID 3773394
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline (CID 114841500) is 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline is Cc1ccc(NCc2cc(Cl)ccc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline?
The InChIKey is YDDWSCGIUJQYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-2-5-14(12(16)6-9)18-8-10-7-11(15)3-4-13(10)17/h2-7,18H,8H2,1H3.
What are the key properties of 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline?
2-chloro-N-[(5-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 2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 114841500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).