4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol

C20H18BrNO2 — CID 51047282

IUPAC4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol
SMILESOc1ccc(Br)cc1CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18BrNO2/c21-17-6-11-20(23)16(12-17)13-22-18-7-9-19(10-8-18)24-14-15-4-2-1-3-5-15/h1-12,22-23H,13-14H2
InChIKeyMUZTXNZOBWEJTH-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.35
Rot. Bonds6

About 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol

4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol (PubChem CID 51047282) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol
PubChem CID51047282
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol
SMILESOc1ccc(Br)cc1CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18BrNO2/c21-17-6-11-20(23)16(12-17)13-22-18-7-9-19(10-8-18)24-14-15-4-2-1-3-5-15/h1-12,22-23H,13-14H2
InChIKeyMUZTXNZOBWEJTH-UHFFFAOYSA-N
XLogP5.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 3727924
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
4-[(5-bromo-2-hydroxyphenyl)methylamino]benzoic acid
CID 70545209
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
5-bromo-2-[(4-methoxyanilino)methyl]phenol
CID 86023506
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126118057
2-(anilinomethyl)-4-[3-(anilinomethyl)-4-hydroxyphenoxy]phenol;ethane
CID 142216385
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
CID 66875668
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135683134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol?
The IUPAC name of 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol (CID 51047282) is 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol is Oc1ccc(Br)cc1CNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol?
The InChIKey is MUZTXNZOBWEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c21-17-6-11-20(23)16(12-17)13-22-18-7-9-19(10-8-18)24-14-15-4-2-1-3-5-15/h1-12,22-23H,13-14H2.
What are the key properties of 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol?
4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol has a molecular weight of 384.27 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol is sourced from PubChem (CID 51047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).