1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

C14H11Cl3FN — CID 64714362

IUPAC1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H11Cl3FN/c1-19-14(9-3-2-4-12(17)13(9)18)10-7-8(15)5-6-11(10)16/h2-7,14,19H,1H3
InChIKeyXGXSEISSTZLSJC-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.09
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (PubChem CID 64714362) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
PubChem CID64714362
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H11Cl3FN/c1-19-14(9-3-2-4-12(17)13(9)18)10-7-8(15)5-6-11(10)16/h2-7,14,19H,1H3
InChIKeyXGXSEISSTZLSJC-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 81266470
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300
1-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107128750
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
1-(3-chloro-2-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 81267785
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486861
1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352
3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 64714351
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807492

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (CID 64714362) is 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is CNC(c1cc(Cl)ccc1Cl)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The InChIKey is XGXSEISSTZLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c1-19-14(9-3-2-4-12(17)13(9)18)10-7-8(15)5-6-11(10)16/h2-7,14,19H,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine has a molecular weight of 318.61 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 64714362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).