N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine

C17H19FINO2 — CID 57469209

IUPACN-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(CCNCc2ccccc2F)c(OC)cc1I
InChIInChI=1S/C17H19FINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKeyLPBKNBHMWRBPHT-UHFFFAOYSA-N
MW415.25 g/mol
LogP3.78
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine

N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine (PubChem CID 57469209) has the molecular formula C17H19FINO2 and a molecular weight of 415.25 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine
PubChem CID57469209
Molecular FormulaC17H19FINO2
Molecular Weight415.25 g/mol
Exact Mass415.04
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(CCNCc2ccccc2F)c(OC)cc1I
InChIInChI=1S/C17H19FINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKeyLPBKNBHMWRBPHT-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CP-122721
CID 9821217
2,5-Dimethoxy-4-iodophenethylamine
CID 10267191
25I-NBOMe
CID 10251906
4-(2-(((2-Hydroxyphenyl)methyl)amino)ethyl)-2,5-dimethoxybenzonitrile
CID 90489020
2-(((2-(4-Iodo-2,5-dimethoxyphenyl)ethyl)amino)methyl)phenol
CID 10001761
2-(2,5-Dimethoxyphenyl)pyrrolidine
CID 3489372
2,5-Dimethoxy-N-methylamphetamine
CID 3048401
25D-Nbome
CID 118536027
2-{[(2-Methoxyphenyl)methyl]amino}-1-[3-(trifluoromethoxy)phenyl]ethan-1-ol
CID 23647928
(2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9967131
N-Benzyl 2c-b
CID 10360487
CP-122721 dihydrochloride
CID 90664465

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine (CID 57469209) is N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine is COc1cc(CCNCc2ccccc2F)c(OC)cc1I.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
The InChIKey is LPBKNBHMWRBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine?
N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine has a molecular weight of 415.25 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 57469209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).