1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine

C14H12F2INO — CID 55146406

IUPAC1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(Oc2ccccc2I)c(F)c1
InChIInChI=1S/C14H12F2INO/c1-18-8-9-6-10(15)14(11(16)7-9)19-13-5-3-2-4-12(13)17/h2-7,18H,8H2,1H3
InChIKeyFQUCBJPZZZXXGD-UHFFFAOYSA-N
MW375.16 g/mol
LogP4.08
Rot. Bonds4

About 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine

1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine (PubChem CID 55146406) has the molecular formula C14H12F2INO and a molecular weight of 375.16 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine
PubChem CID55146406
Molecular FormulaC14H12F2INO
Molecular Weight375.16 g/mol
Exact Mass374.99
IUPAC Name1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(Oc2ccccc2I)c(F)c1
InChIInChI=1S/C14H12F2INO/c1-18-8-9-6-10(15)14(11(16)7-9)19-13-5-3-2-4-12(13)17/h2-7,18H,8H2,1H3
InChIKeyFQUCBJPZZZXXGD-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-difluoro-4-(2-iodophenoxy)phenyl]methyl]propan-1-amine
CID 63550731
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
CID 63077723
1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine
CID 63076148
1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine
CID 114055179
N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
CID 63077891

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine (CID 55146406) is 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine is CNCc1cc(F)c(Oc2ccccc2I)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is FQUCBJPZZZXXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2INO/c1-18-8-9-6-10(15)14(11(16)7-9)19-13-5-3-2-4-12(13)17/h2-7,18H,8H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine?
1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 375.16 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 55146406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).