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

C15H14Cl2IN — CID 115851391

IUPACN-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2IN/c1-2-19-15(10-5-3-6-11(18)9-10)12-7-4-8-13(16)14(12)17/h3-9,15,19H,2H2,1H3
InChIKeyADZHFSLTXBTWGX-UHFFFAOYSA-N
MW406.09 g/mol
LogP5.30
Rot. Bonds4

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

N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine (PubChem CID 115851391) has the molecular formula C15H14Cl2IN and a molecular weight of 406.09 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
PubChem CID115851391
Molecular FormulaC15H14Cl2IN
Molecular Weight406.09 g/mol
Exact Mass404.95
IUPAC NameN-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2IN/c1-2-19-15(10-5-3-6-11(18)9-10)12-7-4-8-13(16)14(12)17/h3-9,15,19H,2H2,1H3
InChIKeyADZHFSLTXBTWGX-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.09
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
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-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
N-[(3-iodophenyl)-isoquinolin-5-ylmethyl]ethanamine
CID 115853165

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine (CID 115851391) is N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine is CCNC(c1cccc(I)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine?
The InChIKey is ADZHFSLTXBTWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2IN/c1-2-19-15(10-5-3-6-11(18)9-10)12-7-4-8-13(16)14(12)17/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine has a molecular weight of 406.09 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 115851391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).