N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine

C17H20INO2 — CID 43489510

IUPACN-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1I)c1cc(OC)ccc1OC
InChIInChI=1S/C17H20INO2/c1-4-19-17(13-7-5-6-8-15(13)18)14-11-12(20-2)9-10-16(14)21-3/h5-11,17,19H,4H2,1-3H3
InChIKeyTYWOQFXNXJMYOO-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.01
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine

N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine (PubChem CID 43489510) has the molecular formula C17H20INO2 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
PubChem CID43489510
Molecular FormulaC17H20INO2
Molecular Weight397.26 g/mol
Exact Mass397.05
IUPAC NameN-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1I)c1cc(OC)ccc1OC
InChIInChI=1S/C17H20INO2/c1-4-19-17(13-7-5-6-8-15(13)18)14-11-12(20-2)9-10-16(14)21-3/h5-11,17,19H,4H2,1-3H3
InChIKeyTYWOQFXNXJMYOO-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923564
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489657
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine (CID 43489510) is N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine is CCNC(c1ccccc1I)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine?
The InChIKey is TYWOQFXNXJMYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO2/c1-4-19-17(13-7-5-6-8-15(13)18)14-11-12(20-2)9-10-16(14)21-3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine?
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine has a molecular weight of 397.26 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 43489510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).