(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol

C15H16BrNO2 — CID 82704014

IUPAC(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1cc(Br)ccc1N
InChIInChI=1S/C15H16BrNO2/c1-9-3-6-14(19-2)12(7-9)15(18)11-8-10(16)4-5-13(11)17/h3-8,15,18H,17H2,1-2H3
InChIKeyYQNXYFFKKLMPFT-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.43
Rot. Bonds3

About (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol

(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol (PubChem CID 82704014) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
PubChem CID82704014
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1cc(Br)ccc1N
InChIInChI=1S/C15H16BrNO2/c1-9-3-6-14(19-2)12(7-9)15(18)11-8-10(16)4-5-13(11)17/h3-8,15,18H,17H2,1-2H3
InChIKeyYQNXYFFKKLMPFT-UHFFFAOYSA-N
XLogP3.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
(3-bromofuran-2-yl)-(5-bromo-2-methoxyphenyl)methanol
CID 63941437
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol (CID 82704014) is (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol is COc1ccc(C)cc1C(O)c1cc(Br)ccc1N.
What is the InChIKey of (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is YQNXYFFKKLMPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-9-3-6-14(19-2)12(7-9)15(18)11-8-10(16)4-5-13(11)17/h3-8,15,18H,17H2,1-2H3.
What are the key properties of (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol?
(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 322.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 82704014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).