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

C16H17ClIN — CID 115864311

IUPAC1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClIN/c1-11-9-13(5-8-15(11)17)16(19-2)10-12-3-6-14(18)7-4-12/h3-9,16,19H,10H2,1-2H3
InChIKeyJAGDKLVJGWKEDR-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.76
Rot. Bonds4

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

1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 115864311) has the molecular formula C16H17ClIN and a molecular weight of 385.68 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID115864311
Molecular FormulaC16H17ClIN
Molecular Weight385.68 g/mol
Exact Mass385.01
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClIN/c1-11-9-13(5-8-15(11)17)16(19-2)10-12-3-6-14(18)7-4-12/h3-9,16,19H,10H2,1-2H3
InChIKeyJAGDKLVJGWKEDR-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.76
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-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
[1-(3-chloro-4-methylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310314
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
1-(4-bromo-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864205
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864231
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 115864311) is 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is JAGDKLVJGWKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClIN/c1-11-9-13(5-8-15(11)17)16(19-2)10-12-3-6-14(18)7-4-12/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine has a molecular weight of 385.68 g/mol, XLogP of 4.76, 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-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 115864311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).