(2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride

C13H11Cl2F2N — CID 54595527

IUPAC(2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride
SMILESCl.NC(c1cc(F)ccc1F)c1ccccc1Cl
InChIInChI=1S/C13H10ClF2N.ClH/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16;/h1-7,13H,17H2;1H
InChIKeyYMBVDMRJJPIGIE-UHFFFAOYSA-N
MW290.14 g/mol
LogP4.09
Rot. Bonds2

About (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride

(2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride (PubChem CID 54595527) has the molecular formula C13H11Cl2F2N and a molecular weight of 290.14 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride
PubChem CID54595527
Molecular FormulaC13H11Cl2F2N
Molecular Weight290.14 g/mol
Exact Mass289.02
IUPAC Name(2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride
SMILESCl.NC(c1cc(F)ccc1F)c1ccccc1Cl
InChIInChI=1S/C13H10ClF2N.ClH/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16;/h1-7,13H,17H2;1H
InChIKeyYMBVDMRJJPIGIE-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride?
The IUPAC name of (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride (CID 54595527) is (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride is Cl.NC(c1cc(F)ccc1F)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride?
The InChIKey is YMBVDMRJJPIGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N.ClH/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16;/h1-7,13H,17H2;1H.
What are the key properties of (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride?
(2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride has a molecular weight of 290.14 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,5-difluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 54595527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).