(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine

C13H9Cl2F2N — CID 43197530

IUPAC(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H,18H2
InChIKeyQGNIKRVNGQGXTF-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.32
Rot. Bonds2

About (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine

(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine (PubChem CID 43197530) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
PubChem CID43197530
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H,18H2
InChIKeyQGNIKRVNGQGXTF-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

(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine (CID 43197530) is (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine?
The InChIKey is QGNIKRVNGQGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H,18H2.
What are the key properties of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine?
(2,5-dichlorophenyl)-(3,4-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 (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 43197530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).