1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

C14H11Cl3IN — CID 103215149

IUPAC1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)c(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3IN/c1-19-14(8-2-5-13(18)12(17)6-8)10-7-9(15)3-4-11(10)16/h2-7,14,19H,1H3
InChIKeyDVEOSRGVSMRZLV-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.56
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (PubChem CID 103215149) has the molecular formula C14H11Cl3IN and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
PubChem CID103215149
Molecular FormulaC14H11Cl3IN
Molecular Weight426.51 g/mol
Exact Mass424.90
IUPAC Name1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)c(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3IN/c1-19-14(8-2-5-13(18)12(17)6-8)10-7-9(15)3-4-11(10)16/h2-7,14,19H,1H3
InChIKeyDVEOSRGVSMRZLV-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.56
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-(2-chloro-4,5-dimethylphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220536
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-(3-chloro-4-iodophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 103216562
1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 103215327
1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine
CID 103220356
1-(3-chloro-4-iodophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103215908
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588
1-(2-bromo-4-ethoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220460
[(3-chloro-4-iodophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 103217225
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220625

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (CID 103215149) is 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is CNC(c1ccc(I)c(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The InChIKey is DVEOSRGVSMRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3IN/c1-19-14(8-2-5-13(18)12(17)6-8)10-7-9(15)3-4-11(10)16/h2-7,14,19H,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine has a molecular weight of 426.51 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 103215149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).