N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine

C16H18INO — CID 79167101

IUPACN-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(Oc2ccccc2I)c1
InChIInChI=1S/C16H18INO/c1-3-18-12(2)13-7-6-8-14(11-13)19-16-10-5-4-9-15(16)17/h4-12,18H,3H2,1-2H3
InChIKeyQSOOWAPPOVCZRU-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.75
Rot. Bonds5

About N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine

N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine (PubChem CID 79167101) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
PubChem CID79167101
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC NameN-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(Oc2ccccc2I)c1
InChIInChI=1S/C16H18INO/c1-3-18-12(2)13-7-6-8-14(11-13)19-16-10-5-4-9-15(16)17/h4-12,18H,3H2,1-2H3
InChIKeyQSOOWAPPOVCZRU-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.75
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

N-ethyl-1-[4-(2-iodophenoxy)phenyl]ethanamine
CID 43479753
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 79170877
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43479752
N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 79166452
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-[3-(3-bromo-5-fluorophenoxy)phenyl]-N-ethylethanamine
CID 81331400
N-methyl-1-(3-naphthalen-1-yloxyphenyl)ethanamine
CID 79166432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine (CID 79167101) is N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine is CCNC(C)c1cccc(Oc2ccccc2I)c1.
What is the InChIKey of N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine?
The InChIKey is QSOOWAPPOVCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-3-18-12(2)13-7-6-8-14(11-13)19-16-10-5-4-9-15(16)17/h4-12,18H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine?
N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine has a molecular weight of 367.23 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine is sourced from PubChem (CID 79167101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).