1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine

C16H18IN — CID 43483778

IUPAC1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1C)c1ccccc1I
InChIInChI=1S/C16H18IN/c1-11-8-9-12(2)14(10-11)16(18-3)13-6-4-5-7-15(13)17/h4-10,16,18H,1-3H3
InChIKeyFZYIKFQTBAFAJQ-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.22
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine

1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine (PubChem CID 43483778) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
PubChem CID43483778
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1C)c1ccccc1I
InChIInChI=1S/C16H18IN/c1-11-8-9-12(2)14(10-11)16(18-3)13-6-4-5-7-15(13)17/h4-10,16,18H,1-3H3
InChIKeyFZYIKFQTBAFAJQ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.22
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-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032769
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483845
1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045172
[(2,4-dimethylphenyl)-(2-iodophenyl)methyl]hydrazine
CID 105304663
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
1-(2,5-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483853
1-(2-iodophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057061
1-(2-ethoxy-5-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 62302995
N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
CID 115852796
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine (CID 43483778) is 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1C)c1ccccc1I.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The InChIKey is FZYIKFQTBAFAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-11-8-9-12(2)14(10-11)16(18-3)13-6-4-5-7-15(13)17/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine has a molecular weight of 351.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43483778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).