[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol

C14H13Br2NO2 — CID 132591522

IUPAC[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol
SMILESNc1ccc(COc2c(Br)cc(Br)cc2CO)cc1
InChIInChI=1S/C14H13Br2NO2/c15-11-5-10(7-18)14(13(16)6-11)19-8-9-1-3-12(17)4-2-9/h1-6,18H,7-8,17H2
InChIKeyRBMJVAWNRMPASY-UHFFFAOYSA-N
MW387.07 g/mol
LogP3.87
Rot. Bonds4

About [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol

[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol (PubChem CID 132591522) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol.

Molecular Properties

Compound Name[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol
PubChem CID132591522
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol
SMILESNc1ccc(COc2c(Br)cc(Br)cc2CO)cc1
InChIInChI=1S/C14H13Br2NO2/c15-11-5-10(7-18)14(13(16)6-11)19-8-9-1-3-12(17)4-2-9/h1-6,18H,7-8,17H2
InChIKeyRBMJVAWNRMPASY-UHFFFAOYSA-N
XLogP3.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
CID 132591526
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171
3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline
CID 63404203
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79706812
N-[[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126123365
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
CID 63533381
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447

Frequently Asked Questions

What is the IUPAC name of [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol?
The IUPAC name of [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol (CID 132591522) is [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol.
What is the SMILES notation for [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol?
The canonical SMILES for [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol is Nc1ccc(COc2c(Br)cc(Br)cc2CO)cc1.
What is the InChIKey of [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol?
The InChIKey is RBMJVAWNRMPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c15-11-5-10(7-18)14(13(16)6-11)19-8-9-1-3-12(17)4-2-9/h1-6,18H,7-8,17H2.
What are the key properties of [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol?
[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol has a molecular weight of 387.07 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol is sourced from PubChem (CID 132591522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).