4-iodo-2-phenylmethoxyaniline

C13H12INO — CID 66756754

IUPAC4-iodo-2-phenylmethoxyaniline
SMILESNc1ccc(I)cc1OCc1ccccc1
InChIInChI=1S/C13H12INO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChIKeyKOULBZNFSSSSDN-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.45
Rot. Bonds3

About 4-iodo-2-phenylmethoxyaniline

4-iodo-2-phenylmethoxyaniline (PubChem CID 66756754) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 4-iodo-2-phenylmethoxyaniline.

Molecular Properties

Compound Name4-iodo-2-phenylmethoxyaniline
PubChem CID66756754
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name4-iodo-2-phenylmethoxyaniline
SMILESNc1ccc(I)cc1OCc1ccccc1
InChIInChI=1S/C13H12INO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChIKeyKOULBZNFSSSSDN-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.45
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'}

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Related Compounds

1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
4-(2-fluorophenyl)-2-phenylmethoxyaniline
CID 171921752
3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
3-(4-iodo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68631589
(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
CID 175194329
4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline
CID 143876594
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-phenylmethoxyaniline?
The IUPAC name of 4-iodo-2-phenylmethoxyaniline (CID 66756754) is 4-iodo-2-phenylmethoxyaniline.
What is the SMILES notation for 4-iodo-2-phenylmethoxyaniline?
The canonical SMILES for 4-iodo-2-phenylmethoxyaniline is Nc1ccc(I)cc1OCc1ccccc1.
What is the InChIKey of 4-iodo-2-phenylmethoxyaniline?
The InChIKey is KOULBZNFSSSSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2.
What are the key properties of 4-iodo-2-phenylmethoxyaniline?
4-iodo-2-phenylmethoxyaniline has a molecular weight of 325.15 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-phenylmethoxyaniline is sourced from PubChem (CID 66756754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).