4-[(3-chlorophenyl)methoxy]-3-iodoaniline

C13H11ClINO — CID 66095443

IUPAC4-[(3-chlorophenyl)methoxy]-3-iodoaniline
SMILESNc1ccc(OCc2cccc(Cl)c2)c(I)c1
InChIInChI=1S/C13H11ClINO/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(16)7-12(13)15/h1-7H,8,16H2
InChIKeyUJBAEUNLISDYQJ-UHFFFAOYSA-N
MW359.59 g/mol
LogP4.11
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]-3-iodoaniline

4-[(3-chlorophenyl)methoxy]-3-iodoaniline (PubChem CID 66095443) has the molecular formula C13H11ClINO and a molecular weight of 359.59 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-3-iodoaniline.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-3-iodoaniline
PubChem CID66095443
Molecular FormulaC13H11ClINO
Molecular Weight359.59 g/mol
Exact Mass358.96
IUPAC Name4-[(3-chlorophenyl)methoxy]-3-iodoaniline
SMILESNc1ccc(OCc2cccc(Cl)c2)c(I)c1
InChIInChI=1S/C13H11ClINO/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(16)7-12(13)15/h1-7H,8,16H2
InChIKeyUJBAEUNLISDYQJ-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3-chlorophenyl)methoxy]-3-iodoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
3-[(2-iodophenoxy)methyl]aniline
CID 43479605
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-3-iodoaniline?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-3-iodoaniline (CID 66095443) is 4-[(3-chlorophenyl)methoxy]-3-iodoaniline.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-3-iodoaniline?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-3-iodoaniline is Nc1ccc(OCc2cccc(Cl)c2)c(I)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-3-iodoaniline?
The InChIKey is UJBAEUNLISDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(16)7-12(13)15/h1-7H,8,16H2.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-3-iodoaniline?
4-[(3-chlorophenyl)methoxy]-3-iodoaniline has a molecular weight of 359.59 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-3-iodoaniline is sourced from PubChem (CID 66095443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).