4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol

C14H19BrFNO2 — CID 115749285

IUPAC4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1cc(Br)ccc1F)CC1(O)CCOCC1
InChIInChI=1S/C14H19BrFNO2/c1-17(10-14(18)4-6-19-7-5-14)9-11-8-12(15)2-3-13(11)16/h2-3,8,18H,4-7,9-10H2,1H3
InChIKeyQNERFBRPWLAECF-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.56
Rot. Bonds4

About 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 115749285) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID115749285
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1cc(Br)ccc1F)CC1(O)CCOCC1
InChIInChI=1S/C14H19BrFNO2/c1-17(10-14(18)4-6-19-7-5-14)9-11-8-12(15)2-3-13(11)16/h2-3,8,18H,4-7,9-10H2,1H3
InChIKeyQNERFBRPWLAECF-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-fluoro-3-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzonitrile
CID 115746953
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzonitrile
CID 114949366
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
CID 114952943
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol (CID 115749285) is 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol is CN(Cc1cc(Br)ccc1F)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is QNERFBRPWLAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-17(10-14(18)4-6-19-7-5-14)9-11-8-12(15)2-3-13(11)16/h2-3,8,18H,4-7,9-10H2,1H3.
What are the key properties of 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 332.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 115749285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).