[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride

C13H11Cl2F2N — CID 172653896

IUPAC[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride
SMILESCl.NCc1cc(F)cc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H10ClF2N.ClH/c14-13-2-1-10(15)6-12(13)9-3-8(7-17)4-11(16)5-9;/h1-6H,7,17H2;1H
InChIKeyPBSPJIWUBVSJCF-UHFFFAOYSA-N
MW290.14 g/mol
LogP4.17
Rot. Bonds2

About [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride

[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride (PubChem CID 172653896) has the molecular formula C13H11Cl2F2N and a molecular weight of 290.14 g/mol. Its IUPAC name is [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride
PubChem CID172653896
Molecular FormulaC13H11Cl2F2N
Molecular Weight290.14 g/mol
Exact Mass289.02
IUPAC Name[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride
SMILESCl.NCc1cc(F)cc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H10ClF2N.ClH/c14-13-2-1-10(15)6-12(13)9-3-8(7-17)4-11(16)5-9;/h1-6H,7,17H2;1H
InChIKeyPBSPJIWUBVSJCF-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631440
[3-(2,3-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631435
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671
[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 172654217
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
(4-chloro-3-phenylphenyl)methanamine
CID 39231703
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride?
The IUPAC name of [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride (CID 172653896) is [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride is Cl.NCc1cc(F)cc(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride?
The InChIKey is PBSPJIWUBVSJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N.ClH/c14-13-2-1-10(15)6-12(13)9-3-8(7-17)4-11(16)5-9;/h1-6H,7,17H2;1H.
What are the key properties of [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride?
[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride has a molecular weight of 290.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride is sourced from PubChem (CID 172653896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).