1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine

C17H20INO — CID 105032769

IUPAC1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1ccccc1I
InChIInChI=1S/C17H20INO/c1-11-10-16(20-4)12(2)9-14(11)17(19-3)13-7-5-6-8-15(13)18/h5-10,17,19H,1-4H3
InChIKeyJCVQNVKSOJAOEP-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.23
Rot. Bonds4

About 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine

1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 105032769) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
PubChem CID105032769
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC Name1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1ccccc1I
InChIInChI=1S/C17H20INO/c1-11-10-16(20-4)12(2)9-14(11)17(19-3)13-7-5-6-8-15(13)18/h5-10,17,19H,1-4H3
InChIKeyJCVQNVKSOJAOEP-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.23
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-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105032973
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485651
1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43483778
1-(2-iodophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057061
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788
1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990154
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109
[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 103217745
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine (CID 105032769) is 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(OC)cc1C)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is JCVQNVKSOJAOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-11-10-16(20-4)12(2)9-14(11)17(19-3)13-7-5-6-8-15(13)18/h5-10,17,19H,1-4H3.
What are the key properties of 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 381.26 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105032769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).