[2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine

C13H9Cl2F2N — CID 82107310

IUPAC[2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine
SMILESNCc1c(Cl)ccc(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-11-4-3-9(13(15)10(11)6-18)8-2-1-7(16)5-12(8)17/h1-5H,6,18H2
InChIKeyRHIXMIHURSWHMY-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.40
Rot. Bonds2

About [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine

[2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine (PubChem CID 82107310) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine
PubChem CID82107310
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name[2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine
SMILESNCc1c(Cl)ccc(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-11-4-3-9(13(15)10(11)6-18)8-2-1-7(16)5-12(8)17/h1-5H,6,18H2
InChIKeyRHIXMIHURSWHMY-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
CID 66159329
[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]methanamine
CID 134631525
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171
[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine
CID 39233250
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
3-chloro-5-(2,4-difluorophenyl)pyridin-4-amine
CID 176730012
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
4-chloro-3-(2,4-difluorophenyl)benzonitrile
CID 172914923
[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
CID 62495474
2-chloro-5-(2,4-difluorophenyl)phenol
CID 53221267
[2-(3,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729193

Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine?
The IUPAC name of [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine (CID 82107310) is [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine.
What is the SMILES notation for [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine?
The canonical SMILES for [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine is NCc1c(Cl)ccc(-c2ccc(F)cc2F)c1Cl.
What is the InChIKey of [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine?
The InChIKey is RHIXMIHURSWHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-11-4-3-9(13(15)10(11)6-18)8-2-1-7(16)5-12(8)17/h1-5H,6,18H2.
What are the key properties of [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine?
[2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine has a molecular weight of 288.12 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine is sourced from PubChem (CID 82107310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).