2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol

C15H16BrNO — CID 63323686

IUPAC2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H16BrNO/c1-11-2-7-15(18)13(8-11)10-17-9-12-3-5-14(16)6-4-12/h2-8,17-18H,9-10H2,1H3
InChIKeyHPNCHDVTRHIOTE-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.75
Rot. Bonds4

About 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol

2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol (PubChem CID 63323686) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
PubChem CID63323686
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H16BrNO/c1-11-2-7-15(18)13(8-11)10-17-9-12-3-5-14(16)6-4-12/h2-8,17-18H,9-10H2,1H3
InChIKeyHPNCHDVTRHIOTE-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 54957738
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324955
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
3-[[(2-hydroxy-5-methylphenyl)methylamino]methyl]benzoic acid
CID 84761692
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573
2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928746
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylphenol
CID 63324515

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol (CID 63323686) is 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol is Cc1ccc(O)c(CNCc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol?
The InChIKey is HPNCHDVTRHIOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-2-7-15(18)13(8-11)10-17-9-12-3-5-14(16)6-4-12/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol?
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol has a molecular weight of 306.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 63323686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).