1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine

C15H14ClFIN — CID 107993415

IUPAC1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFIN/c1-19-15(8-10-2-5-12(18)6-3-10)11-4-7-13(16)14(17)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyWMVFIYYPJYVCSL-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.59
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine

1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 107993415) has the molecular formula C15H14ClFIN and a molecular weight of 389.64 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID107993415
Molecular FormulaC15H14ClFIN
Molecular Weight389.64 g/mol
Exact Mass388.98
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFIN/c1-19-15(8-10-2-5-12(18)6-3-10)11-4-7-13(16)14(17)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyWMVFIYYPJYVCSL-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

1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864311
1-(4-bromo-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
1-(4-chloro-3-fluorophenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107994783
1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864205

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 107993415) is 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is WMVFIYYPJYVCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFIN/c1-19-15(8-10-2-5-12(18)6-3-10)11-4-7-13(16)14(17)9-11/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(4-chloro-3-fluorophenyl)-2-(4-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 1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 107993415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).