1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine

C15H16INO — CID 114055179

IUPAC1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1Oc1ccccc1I
InChIInChI=1S/C15H16INO/c1-11-7-8-14(12(9-11)10-17-2)18-15-6-4-3-5-13(15)16/h3-9,17H,10H2,1-2H3
InChIKeySNTZWTWWBUGZIE-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine

1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine (PubChem CID 114055179) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine
PubChem CID114055179
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1Oc1ccccc1I
InChIInChI=1S/C15H16INO/c1-11-7-8-14(12(9-11)10-17-2)18-15-6-4-3-5-13(15)16/h3-9,17H,10H2,1-2H3
InChIKeySNTZWTWWBUGZIE-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.11
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

1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]propan-1-amine
CID 114856352
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 55146406
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856357
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 63323237
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine (CID 114055179) is 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1Oc1ccccc1I.
What is the InChIKey of 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine?
The InChIKey is SNTZWTWWBUGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-11-7-8-14(12(9-11)10-17-2)18-15-6-4-3-5-13(15)16/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine?
1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine has a molecular weight of 353.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 114055179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).