[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine

C13H10Cl3N — CID 66159336

IUPAC[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-6H,7,17H2
InChIKeyKKZDNRBPRIUYGO-UHFFFAOYSA-N
MW286.59 g/mol
LogP4.77
Rot. Bonds2

About [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine

[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine (PubChem CID 66159336) has the molecular formula C13H10Cl3N and a molecular weight of 286.59 g/mol. Its IUPAC name is [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
PubChem CID66159336
Molecular FormulaC13H10Cl3N
Molecular Weight286.59 g/mol
Exact Mass284.99
IUPAC Name[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-6H,7,17H2
InChIKeyKKZDNRBPRIUYGO-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine
CID 79597387
[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
CID 66159329
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171
[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine
CID 66159326
[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79487686
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
CID 106763212
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
(5-chloro-2-pyrimidin-5-ylphenyl)methanamine
CID 66160696
[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine
CID 66157888

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine (CID 66159336) is [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine is NCc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine?
The InChIKey is KKZDNRBPRIUYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-6H,7,17H2.
What are the key properties of [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine?
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine has a molecular weight of 286.59 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine is sourced from PubChem (CID 66159336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).