1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine

C16H18IN — CID 43483766

IUPAC1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(C)ccc1C
InChIInChI=1S/C16H18IN/c1-11-7-8-12(2)15(9-11)16(18-3)13-5-4-6-14(17)10-13/h4-10,16,18H,1-3H3
InChIKeyHYAZRXBSXIFWDU-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.22
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine

1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 43483766) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID43483766
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(C)ccc1C
InChIInChI=1S/C16H18IN/c1-11-7-8-12(2)15(9-11)16(18-3)13-5-4-6-14(17)10-13/h4-10,16,18H,1-3H3
InChIKeyHYAZRXBSXIFWDU-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-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43483778
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 115482248
1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023193
1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107476154
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
[(3-iodophenyl)-(2-methylphenyl)methyl]hydrazine
CID 105285986
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483845
N-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 43483766) is 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is HYAZRXBSXIFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-11-7-8-12(2)15(9-11)16(18-3)13-5-4-6-14(17)10-13/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(2,5-dimethylphenyl)-1-(3-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-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43483766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).