4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline

C15H16INO2 — CID 60679168

IUPAC4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO2/c1-18-14-6-8-15(9-7-14)19-11-10-17-13-4-2-12(16)3-5-13/h2-9,17H,10-11H2,1H3
InChIKeyVKYSXNKLSUVWDI-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.79
Rot. Bonds6

About 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline

4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline (PubChem CID 60679168) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
PubChem CID60679168
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO2/c1-18-14-6-8-15(9-7-14)19-11-10-17-13-4-2-12(16)3-5-13/h2-9,17H,10-11H2,1H3
InChIKeyVKYSXNKLSUVWDI-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.79
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

4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
CID 60681036
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxyaniline
CID 54796773
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine
CID 60728035
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The IUPAC name of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline (CID 60679168) is 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline is COc1ccc(OCCNc2ccc(I)cc2)cc1.
What is the InChIKey of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The InChIKey is VKYSXNKLSUVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-18-14-6-8-15(9-7-14)19-11-10-17-13-4-2-12(16)3-5-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline?
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline has a molecular weight of 369.20 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 60679168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).