2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine

C15H14Cl3N — CID 63412206

IUPAC2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-19-15(8-10-3-2-4-11(16)7-10)13-9-12(17)5-6-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyZUHSLDQHHCCIOZ-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.15
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine

2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine (PubChem CID 63412206) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
PubChem CID63412206
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-19-15(8-10-3-2-4-11(16)7-10)13-9-12(17)5-6-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyZUHSLDQHHCCIOZ-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 55187555
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 63507542
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine (CID 63412206) is 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The InChIKey is ZUHSLDQHHCCIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-19-15(8-10-3-2-4-11(16)7-10)13-9-12(17)5-6-14(13)18/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63412206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).