1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine

C18H22INO2 — CID 170982893

IUPAC1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cc(C)cc(I)c2)c1
InChIInChI=1S/C18H22INO2/c1-12-7-14(9-15(19)8-12)11-20-13(2)17-10-16(21-3)5-6-18(17)22-4/h5-10,13,20H,11H2,1-4H3
InChIKeyFSSDPRLFTOKJLN-UHFFFAOYSA-N
MW411.28 g/mol
LogP4.47
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine

1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine (PubChem CID 170982893) has the molecular formula C18H22INO2 and a molecular weight of 411.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine
PubChem CID170982893
Molecular FormulaC18H22INO2
Molecular Weight411.28 g/mol
Exact Mass411.07
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cc(C)cc(I)c2)c1
InChIInChI=1S/C18H22INO2/c1-12-7-14(9-15(19)8-12)11-20-13(2)17-10-16(21-3)5-6-18(17)22-4/h5-10,13,20H,11H2,1-4H3
InChIKeyFSSDPRLFTOKJLN-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 43224440
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine (CID 170982893) is 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine is COc1ccc(OC)c(C(C)NCc2cc(C)cc(I)c2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine?
The InChIKey is FSSDPRLFTOKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO2/c1-12-7-14(9-15(19)8-12)11-20-13(2)17-10-16(21-3)5-6-18(17)22-4/h5-10,13,20H,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine?
1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine has a molecular weight of 411.28 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 170982893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).