25I-NBOMe

C18H22INO3 — CID 10251906

IUPAC2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC
InChIInChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyZFUOLNAKPBFDIJ-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.80
Rot. Bonds8

About 25I-NBOMe

25I-NBOMe (PubChem CID 10251906) has the molecular formula C18H22INO3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name25I-NBOMe
PubChem CID10251906
Molecular FormulaC18H22INO3
Molecular Weight427.30 g/mol
Exact Mass427.06
IUPAC Name2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC
InChIInChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyZFUOLNAKPBFDIJ-UHFFFAOYSA-N
XLogP3.80
TPSA39.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity331

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 25I-NBOMe 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

CP-122721
CID 9821217
2,5-Dimethoxy-4-iodoamphetamine
CID 1229
2,5-Dimethoxy-4-iodophenethylamine
CID 10267191
Methoctramine
CID 107759
Cimbi-36
CID 9977044
Cimbi-36 C-11
CID 50937472
2-(4-chloro-2,5-dimethoxyphenyl)-N-((2-methoxyphenyl)methyl)ethanamine
CID 46856354
2-(2,5-Dimethoxyphenyl)pyrrolidine
CID 3489372
Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)-
CID 9840090
4-(2-(((2-Hydroxyphenyl)methyl)amino)ethyl)-2,5-dimethoxybenzonitrile
CID 90489020
2,5-Dimethoxy-N-methylamphetamine
CID 3048401
25D-Nbome
CID 118536027

Frequently Asked Questions

What is the IUPAC name of 25I-NBOMe?
The IUPAC name of 25I-NBOMe (CID 10251906) is 2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 25I-NBOMe?
The canonical SMILES for 25I-NBOMe is COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC.
What is the InChIKey of 25I-NBOMe?
The InChIKey is ZFUOLNAKPBFDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3.
What are the key properties of 25I-NBOMe?
25I-NBOMe has a molecular weight of 427.30 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 25I-NBOMe is sourced from PubChem (CID 10251906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).