1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine

C14H12Cl3N — CID 66158721

IUPAC1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl3N/c1-18-8-9-7-10(15)5-6-11(9)12-3-2-4-13(16)14(12)17/h2-7,18H,8H2,1H3
InChIKeyYHTPOPQQPQRBDY-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.03
Rot. Bonds3

About 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine (PubChem CID 66158721) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
PubChem CID66158721
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl3N/c1-18-8-9-7-10(15)5-6-11(9)12-3-2-4-13(16)14(12)17/h2-7,18H,8H2,1H3
InChIKeyYHTPOPQQPQRBDY-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
CID 104660912
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545376
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
CID 79601651
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105349880
1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 115502878

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine (CID 66158721) is 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine?
The InChIKey is YHTPOPQQPQRBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-18-8-9-7-10(15)5-6-11(9)12-3-2-4-13(16)14(12)17/h2-7,18H,8H2,1H3.
What are the key properties of 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine has a molecular weight of 300.62 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66158721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).