1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine

C14H11ClF2IN — CID 103215327

IUPAC1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C14H11ClF2IN/c1-19-14(8-5-6-12(18)9(15)7-8)13-10(16)3-2-4-11(13)17/h2-7,14,19H,1H3
InChIKeyVDEJYQZAARMHQE-UHFFFAOYSA-N
MW393.60 g/mol
LogP4.53
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine

1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine (PubChem CID 103215327) has the molecular formula C14H11ClF2IN and a molecular weight of 393.60 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
PubChem CID103215327
Molecular FormulaC14H11ClF2IN
Molecular Weight393.60 g/mol
Exact Mass392.96
IUPAC Name1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C14H11ClF2IN/c1-19-14(8-5-6-12(18)9(15)7-8)13-10(16)3-2-4-11(13)17/h2-7,14,19H,1H3
InChIKeyVDEJYQZAARMHQE-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 54.53
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-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 103215149
1-(3-chloro-4-iodophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103215908
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727
1-(2-chloro-4,5-dimethylphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220536
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483251
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine (CID 103215327) is 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(I)c(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The InChIKey is VDEJYQZAARMHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2IN/c1-19-14(8-5-6-12(18)9(15)7-8)13-10(16)3-2-4-11(13)17/h2-7,14,19H,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine has a molecular weight of 393.60 g/mol, XLogP of 4.53, 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-(2,6-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 103215327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).