2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine

C15H14ClFIN — CID 102866450

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccccc1I
InChIInChI=1S/C15H14ClFIN/c1-19-14(11-6-2-3-8-13(11)18)9-10-5-4-7-12(16)15(10)17/h2-8,14,19H,9H2,1H3
InChIKeyQNHUWOUZBXFDHM-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.59
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine

2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine (PubChem CID 102866450) has the molecular formula C15H14ClFIN and a molecular weight of 389.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
PubChem CID102866450
Molecular FormulaC15H14ClFIN
Molecular Weight389.64 g/mol
Exact Mass388.98
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccccc1I
InChIInChI=1S/C15H14ClFIN/c1-19-14(11-6-2-3-8-13(11)18)9-10-5-4-7-12(16)15(10)17/h2-8,14,19H,9H2,1H3
InChIKeyQNHUWOUZBXFDHM-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.64
LogP ≤ 54.59
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

2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 61079847
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 102866361
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 102857811
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564
5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
CID 82806067
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
[2-(2,3-dichlorophenyl)-1-(2-iodophenyl)ethyl]hydrazine
CID 107312879
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine (CID 102866450) is 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1F)c1ccccc1I.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
The InChIKey is QNHUWOUZBXFDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFIN/c1-19-14(11-6-2-3-8-13(11)18)9-10-5-4-7-12(16)15(10)17/h2-8,14,19H,9H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine has a molecular weight of 389.64 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 102866450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).