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

C14H11ClF2IN — CID 107476154

IUPAC1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H11ClF2IN/c1-19-14(8-3-2-4-9(18)5-8)10-6-12(16)13(17)7-11(10)15/h2-7,14,19H,1H3
InChIKeyJQTAIPMARQZBRL-UHFFFAOYSA-N
MW393.60 g/mol
LogP4.53
Rot. Bonds3

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

1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 107476154) has the molecular formula C14H11ClF2IN and a molecular weight of 393.60 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID107476154
Molecular FormulaC14H11ClF2IN
Molecular Weight393.60 g/mol
Exact Mass392.96
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H11ClF2IN/c1-19-14(8-3-2-4-9(18)5-8)10-6-12(16)13(17)7-11(10)15/h2-7,14,19H,1H3
InChIKeyJQTAIPMARQZBRL-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43484544
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
CID 107476135
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
CID 107291463
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 107476154) is 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is JQTAIPMARQZBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2IN/c1-19-14(8-3-2-4-9(18)5-8)10-6-12(16)13(17)7-11(10)15/h2-7,14,19H,1H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-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-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 107476154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).