N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine

C15H14Cl3N — CID 63412201

IUPACN-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3N/c1-2-19-15(10-5-3-6-11(16)9-10)12-7-4-8-13(17)14(12)18/h3-9,15,19H,2H2,1H3
InChIKeyGWXFAHBLBKPYSE-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.35
Rot. Bonds4

About N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine

N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 63412201) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID63412201
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC NameN-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3N/c1-2-19-15(10-5-3-6-11(16)9-10)12-7-4-8-13(17)14(12)18/h3-9,15,19H,2H2,1H3
InChIKeyGWXFAHBLBKPYSE-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (CID 63412201) is N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is GWXFAHBLBKPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-2-19-15(10-5-3-6-11(16)9-10)12-7-4-8-13(17)14(12)18/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 63412201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).