3-[(2-chloro-5-iodoanilino)methyl]phenol

C13H11ClINO — CID 114258558

IUPAC3-[(2-chloro-5-iodoanilino)methyl]phenol
SMILESOc1cccc(CNc2cc(I)ccc2Cl)c1
InChIInChI=1S/C13H11ClINO/c14-12-5-4-10(15)7-13(12)16-8-9-2-1-3-11(17)6-9/h1-7,16-17H,8H2
InChIKeyFFNJBPYQYQSVKE-UHFFFAOYSA-N
MW359.59 g/mol
LogP4.26
Rot. Bonds3

About 3-[(2-chloro-5-iodoanilino)methyl]phenol

3-[(2-chloro-5-iodoanilino)methyl]phenol (PubChem CID 114258558) has the molecular formula C13H11ClINO and a molecular weight of 359.59 g/mol. Its IUPAC name is 3-[(2-chloro-5-iodoanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-chloro-5-iodoanilino)methyl]phenol
PubChem CID114258558
Molecular FormulaC13H11ClINO
Molecular Weight359.59 g/mol
Exact Mass358.96
IUPAC Name3-[(2-chloro-5-iodoanilino)methyl]phenol
SMILESOc1cccc(CNc2cc(I)ccc2Cl)c1
InChIInChI=1S/C13H11ClINO/c14-12-5-4-10(15)7-13(12)16-8-9-2-1-3-11(17)6-9/h1-7,16-17H,8H2
InChIKeyFFNJBPYQYQSVKE-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
N-[(4-bromo-3-chlorophenyl)methyl]-2-chloro-5-iodoaniline
CID 114258545
3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
CID 43731727
2-bromo-N-[(3-chlorophenyl)methyl]-5-iodoaniline
CID 114258893
2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
CID 65499551
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]phenol
CID 43740960
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-iodoaniline
CID 113365415
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
3-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726536

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-iodoanilino)methyl]phenol?
The IUPAC name of 3-[(2-chloro-5-iodoanilino)methyl]phenol (CID 114258558) is 3-[(2-chloro-5-iodoanilino)methyl]phenol.
What is the SMILES notation for 3-[(2-chloro-5-iodoanilino)methyl]phenol?
The canonical SMILES for 3-[(2-chloro-5-iodoanilino)methyl]phenol is Oc1cccc(CNc2cc(I)ccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-5-iodoanilino)methyl]phenol?
The InChIKey is FFNJBPYQYQSVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO/c14-12-5-4-10(15)7-13(12)16-8-9-2-1-3-11(17)6-9/h1-7,16-17H,8H2.
What are the key properties of 3-[(2-chloro-5-iodoanilino)methyl]phenol?
3-[(2-chloro-5-iodoanilino)methyl]phenol has a molecular weight of 359.59 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-iodoanilino)methyl]phenol is sourced from PubChem (CID 114258558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).