2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

C17H20INO — CID 115864110

IUPAC2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cc(C)ccc1OC
InChIInChI=1S/C17H20INO/c1-12-4-9-17(20-3)15(10-12)16(19-2)11-13-5-7-14(18)8-6-13/h4-10,16,19H,11H2,1-3H3
InChIKeyACLAFZGHYKGBCM-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 115864110) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID115864110
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC Name2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cc(C)ccc1OC
InChIInChI=1S/C17H20INO/c1-12-4-9-17(20-3)15(10-12)16(19-2)11-13-5-7-14(18)8-6-13/h4-10,16,19H,11H2,1-3H3
InChIKeyACLAFZGHYKGBCM-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
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

[2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105310239
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864340
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 105036707
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 115864110) is 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1cc(C)ccc1OC.
What is the InChIKey of 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is ACLAFZGHYKGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-12-4-9-17(20-3)15(10-12)16(19-2)11-13-5-7-14(18)8-6-13/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 381.26 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115864110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).