[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol

C14H14BrNO2 — CID 115557532

IUPAC[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol
SMILESNc1cc(COc2ccc(CO)cc2)ccc1Br
InChIInChI=1S/C14H14BrNO2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-7,17H,8-9,16H2
InChIKeyAQYWNCKWMYHMQO-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.10
Rot. Bonds4

About [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol

[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol (PubChem CID 115557532) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol
PubChem CID115557532
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol
SMILESNc1cc(COc2ccc(CO)cc2)ccc1Br
InChIInChI=1S/C14H14BrNO2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-7,17H,8-9,16H2
InChIKeyAQYWNCKWMYHMQO-UHFFFAOYSA-N
XLogP3.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[(4-tert-butylphenoxy)methyl]aniline
CID 115557439
2-bromo-5-[(4-propan-2-ylphenoxy)methyl]aniline
CID 115557430
2-amino-4-[(4-bromophenoxy)methyl]phenol
CID 117221968
3-[(3-amino-4-bromophenyl)methoxy]benzonitrile
CID 115557475
2-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]aniline
CID 115557562
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
2-bromo-4-[(4-fluorophenoxy)methyl]aniline
CID 117220466
2-bromo-5-[(2,4,6-triiodophenoxy)methyl]aniline
CID 115557500
2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
CID 82827974
4-[(3-amino-4-chlorophenyl)methoxy]phenol
CID 117221951
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875

Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol?
The IUPAC name of [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol (CID 115557532) is [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol is Nc1cc(COc2ccc(CO)cc2)ccc1Br.
What is the InChIKey of [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol?
The InChIKey is AQYWNCKWMYHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-7,17H,8-9,16H2.
What are the key properties of [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol?
[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol has a molecular weight of 308.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 115557532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).