1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol

C15H15BrINO — CID 174440722

IUPAC1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol
SMILESCc1cc(I)ccc1Nc1ccc(CC(O)Br)cc1
InChIInChI=1S/C15H15BrINO/c1-10-8-12(17)4-7-14(10)18-13-5-2-11(3-6-13)9-15(16)19/h2-8,15,18-19H,9H2,1H3
InChIKeyXNHWAIVWEGYDQC-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.60
Rot. Bonds4

About 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol

1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol (PubChem CID 174440722) has the molecular formula C15H15BrINO and a molecular weight of 432.10 g/mol. Its IUPAC name is 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol
PubChem CID174440722
Molecular FormulaC15H15BrINO
Molecular Weight432.10 g/mol
Exact Mass430.94
IUPAC Name1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol
SMILESCc1cc(I)ccc1Nc1ccc(CC(O)Br)cc1
InChIInChI=1S/C15H15BrINO/c1-10-8-12(17)4-7-14(10)18-13-5-2-11(3-6-13)9-15(16)19/h2-8,15,18-19H,9H2,1H3
InChIKeyXNHWAIVWEGYDQC-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-methyl-N-(4-nitrophenyl)aniline
CID 4763873
fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol
CID 151515953
N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline
CID 43716986
[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol
CID 22225995
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
4-iodo-1-[4-iodo-2-[[4-(sulfinatoamino)phenyl]methyliminoazaniumylidenecarbamoyl]anilino]-2-methylbenzene
CID 174454978
N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 10173887
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol?
The IUPAC name of 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol (CID 174440722) is 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol.
What is the SMILES notation for 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol?
The canonical SMILES for 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol is Cc1cc(I)ccc1Nc1ccc(CC(O)Br)cc1.
What is the InChIKey of 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol?
The InChIKey is XNHWAIVWEGYDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrINO/c1-10-8-12(17)4-7-14(10)18-13-5-2-11(3-6-13)9-15(16)19/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol?
1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol has a molecular weight of 432.10 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol is sourced from PubChem (CID 174440722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).