N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline

C15H16INO — CID 43757793

IUPACN-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C15H16INO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,17H,1-2H3
InChIKeyAZCPGADBUSNOEE-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline

N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline (PubChem CID 43757793) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
PubChem CID43757793
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC NameN-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C15H16INO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,17H,1-2H3
InChIKeyAZCPGADBUSNOEE-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.47
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-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
2-methoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 43110062
N-[1-(4-iodophenyl)ethyl]-3,4-dimethoxyaniline
CID 43759998
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580
5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol
CID 43790452
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline (CID 43757793) is N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline is COc1ccccc1NC(C)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline?
The InChIKey is AZCPGADBUSNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,17H,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline?
N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline has a molecular weight of 353.20 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 43757793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).