[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol

C15H15BrFNO — CID 103792992

IUPAC[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1cccc(CNCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFNO/c16-15-7-14(17)5-4-13(15)9-18-8-11-2-1-3-12(6-11)10-19/h1-7,18-19H,8-10H2
InChIKeyKYPUXDCEYDFAGO-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.37
Rot. Bonds5

About [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol

[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol (PubChem CID 103792992) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
PubChem CID103792992
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1cccc(CNCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFNO/c16-15-7-14(17)5-4-13(15)9-18-8-11-2-1-3-12(6-11)10-19/h1-7,18-19H,8-10H2
InChIKeyKYPUXDCEYDFAGO-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]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-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine
CID 107232978
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
N-[[3-[(2-bromo-4-fluorophenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66347846
6-[(2-bromo-4-fluorophenyl)methylamino]hexan-1-ol
CID 103924150
1-(1,3-benzodioxol-4-yl)-N-[(2-bromo-4-fluorophenyl)methyl]methanamine
CID 61210593
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
N-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)aniline
CID 65023906
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
3-[(2-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43466684

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol (CID 103792992) is [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol is OCc1cccc(CNCc2ccc(F)cc2Br)c1.
What is the InChIKey of [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is KYPUXDCEYDFAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-15-7-14(17)5-4-13(15)9-18-8-11-2-1-3-12(6-11)10-19/h1-7,18-19H,8-10H2.
What are the key properties of [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol?
[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 324.19 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103792992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).