2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol

C15H15BrClNO2 — CID 29292955

IUPAC2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNCc2ccccc2Cl)cc(Br)c1O
InChIInChI=1S/C15H15BrClNO2/c1-20-14-7-10(6-12(16)15(14)19)8-18-9-11-4-2-3-5-13(11)17/h2-7,18-19H,8-9H2,1H3
InChIKeyPUHDPJRYDGMIQU-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.11
Rot. Bonds5

About 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol

2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol (PubChem CID 29292955) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
PubChem CID29292955
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNCc2ccccc2Cl)cc(Br)c1O
InChIInChI=1S/C15H15BrClNO2/c1-20-14-7-10(6-12(16)15(14)19)8-18-9-11-4-2-3-5-13(11)17/h2-7,18-19H,8-9H2,1H3
InChIKeyPUHDPJRYDGMIQU-UHFFFAOYSA-N
XLogP4.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 43220575
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715683
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
CID 107741111
2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
CID 55162656
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol;hydrochloride
CID 17290404
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-bromophenyl)methanamine
CID 61402039
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718228
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol (CID 29292955) is 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol is COc1cc(CNCc2ccccc2Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol?
The InChIKey is PUHDPJRYDGMIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-20-14-7-10(6-12(16)15(14)19)8-18-9-11-4-2-3-5-13(11)17/h2-7,18-19H,8-9H2,1H3.
What are the key properties of 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol?
2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol has a molecular weight of 356.65 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 29292955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).