4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol

C15H16BrNO2 — CID 61400923

IUPAC4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCc2cccc(Br)c2)ccc1O
InChIInChI=1S/C15H16BrNO2/c1-19-15-8-12(5-6-14(15)18)10-17-9-11-3-2-4-13(16)7-11/h2-8,17-18H,9-10H2,1H3
InChIKeyBHCLLESYEDNQOQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.45
Rot. Bonds5

About 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol

4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol (PubChem CID 61400923) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
PubChem CID61400923
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCc2cccc(Br)c2)ccc1O
InChIInChI=1S/C15H16BrNO2/c1-19-15-8-12(5-6-14(15)18)10-17-9-11-3-2-4-13(16)7-11/h2-8,17-18H,9-10H2,1H3
InChIKeyBHCLLESYEDNQOQ-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

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Related Compounds

4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
CID 28646730
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43740703
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 54932020

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol (CID 61400923) is 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol is COc1cc(CNCc2cccc(Br)c2)ccc1O.
What is the InChIKey of 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is BHCLLESYEDNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-19-15-8-12(5-6-14(15)18)10-17-9-11-3-2-4-13(16)7-11/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol?
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol 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-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 61400923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).