2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline

C13H9Cl2F2N — CID 30051961

IUPAC2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
SMILESFc1cccc(F)c1CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-8-4-5-10(15)13(6-8)18-7-9-11(16)2-1-3-12(9)17/h1-6,18H,7H2
InChIKeyJMVWWVJNRXTMDV-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

About 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline

2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline (PubChem CID 30051961) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
PubChem CID30051961
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
SMILESFc1cccc(F)c1CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-8-4-5-10(15)13(6-8)18-7-9-11(16)2-1-3-12(9)17/h1-6,18H,7H2
InChIKeyJMVWWVJNRXTMDV-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-dichloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037451
2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 28992578
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline?
The IUPAC name of 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline (CID 30051961) is 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline is Fc1cccc(F)c1CNc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline?
The InChIKey is JMVWWVJNRXTMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-8-4-5-10(15)13(6-8)18-7-9-11(16)2-1-3-12(9)17/h1-6,18H,7H2.
What are the key properties of 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline?
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline has a molecular weight of 288.12 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline is sourced from PubChem (CID 30051961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).