4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol

C15H16BrNO2 — CID 45029997

IUPAC4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1ccccc1CNCc1cc(Br)ccc1O
InChIInChI=1S/C15H16BrNO2/c1-19-15-5-3-2-4-11(15)9-17-10-12-8-13(16)6-7-14(12)18/h2-8,17-18H,9-10H2,1H3
InChIKeyHDQYHJLKEZLGHY-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.45
Rot. Bonds5

About 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol

4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol (PubChem CID 45029997) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
PubChem CID45029997
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1ccccc1CNCc1cc(Br)ccc1O
InChIInChI=1S/C15H16BrNO2/c1-19-15-5-3-2-4-11(15)9-17-10-12-8-13(16)6-7-14(12)18/h2-8,17-18H,9-10H2,1H3
InChIKeyHDQYHJLKEZLGHY-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1371435
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 17367362
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971351
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol (CID 45029997) is 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol is COc1ccccc1CNCc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
The InChIKey is HDQYHJLKEZLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-19-15-5-3-2-4-11(15)9-17-10-12-8-13(16)6-7-14(12)18/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol?
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol has a molecular weight of 322.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 45029997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).