1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine

C15H16IN — CID 115790034

IUPAC1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1ccc(I)cc1)c1cccc(C)c1
InChIInChI=1S/C15H16IN/c1-11-4-3-5-13(10-11)15(17-2)12-6-8-14(16)9-7-12/h3-10,15,17H,1-2H3
InChIKeyIXIMTLXAOVGUBE-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.91
Rot. Bonds3

About 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine

1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 115790034) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID115790034
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1ccc(I)cc1)c1cccc(C)c1
InChIInChI=1S/C15H16IN/c1-11-4-3-5-13(10-11)15(17-2)12-6-8-14(16)9-7-12/h3-10,15,17H,1-2H3
InChIKeyIXIMTLXAOVGUBE-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.91
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-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine
CID 66259750
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
N-methyl-1-(3-methylphenyl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482466
(4-iodophenyl)-(3-methylphenyl)methanol
CID 114978089
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine (CID 115790034) is 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1ccc(I)cc1)c1cccc(C)c1.
What is the InChIKey of 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is IXIMTLXAOVGUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-11-4-3-5-13(10-11)15(17-2)12-6-8-14(16)9-7-12/h3-10,15,17H,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 337.20 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 115790034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).