N-[(2-ethoxyphenyl)methyl]-2-iodoaniline

C15H16INO — CID 28878592

IUPACN-[(2-ethoxyphenyl)methyl]-2-iodoaniline
SMILESCCOc1ccccc1CNc1ccccc1I
InChIInChI=1S/C15H16INO/c1-2-18-15-10-6-3-7-12(15)11-17-14-9-5-4-8-13(14)16/h3-10,17H,2,11H2,1H3
InChIKeyOGEJKBBNMQWLHC-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-2-iodoaniline

N-[(2-ethoxyphenyl)methyl]-2-iodoaniline (PubChem CID 28878592) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-iodoaniline
PubChem CID28878592
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-iodoaniline
SMILESCCOc1ccccc1CNc1ccccc1I
InChIInChI=1S/C15H16INO/c1-2-18-15-10-6-3-7-12(15)11-17-14-9-5-4-8-13(14)16/h3-10,17H,2,11H2,1H3
InChIKeyOGEJKBBNMQWLHC-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.30
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

2-iodo-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43773432
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79033707
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-iodoaniline?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-iodoaniline (CID 28878592) is N-[(2-ethoxyphenyl)methyl]-2-iodoaniline.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-iodoaniline?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-iodoaniline is CCOc1ccccc1CNc1ccccc1I.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-iodoaniline?
The InChIKey is OGEJKBBNMQWLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-2-18-15-10-6-3-7-12(15)11-17-14-9-5-4-8-13(14)16/h3-10,17H,2,11H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-iodoaniline?
N-[(2-ethoxyphenyl)methyl]-2-iodoaniline has a molecular weight of 353.20 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-iodoaniline is sourced from PubChem (CID 28878592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).