(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine

C13H9Cl2F2N — CID 43197872

IUPAC(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)ccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-7-1-3-9(11(15)5-7)13(18)10-6-8(16)2-4-12(10)17/h1-6,13H,18H2
InChIKeyIWZZNUCNCHBMEU-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.32
Rot. Bonds2

About (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine

(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine (PubChem CID 43197872) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
PubChem CID43197872
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)ccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-7-1-3-9(11(15)5-7)13(18)10-6-8(16)2-4-12(10)17/h1-6,13H,18H2
InChIKeyIWZZNUCNCHBMEU-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(2,6-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197833
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine (CID 43197872) is (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine is NC(c1cc(F)ccc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine?
The InChIKey is IWZZNUCNCHBMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-7-1-3-9(11(15)5-7)13(18)10-6-8(16)2-4-12(10)17/h1-6,13H,18H2.
What are the key properties of (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine?
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine has a molecular weight of 288.12 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine is sourced from PubChem (CID 43197872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).