[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol

C12H15BrFNO — CID 115733345

IUPAC[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
SMILESOCC1(NCc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H15BrFNO/c13-10-3-2-9(11(14)6-10)7-15-12(8-16)4-1-5-12/h2-3,6,15-16H,1,4-5,7-8H2
InChIKeySCSMGPXTBWIAIO-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.59
Rot. Bonds4

About [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol

[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol (PubChem CID 115733345) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
PubChem CID115733345
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
SMILESOCC1(NCc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H15BrFNO/c13-10-3-2-9(11(14)6-10)7-15-12(8-16)4-1-5-12/h2-3,6,15-16H,1,4-5,7-8H2
InChIKeySCSMGPXTBWIAIO-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62522578
N-[(4-bromo-2-fluorophenyl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024824
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
3-fluoro-N'-hydroxy-4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
CID 77028031
[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
CID 115763151
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115733344
4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 107452835
[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520098

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol (CID 115733345) is [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol is OCC1(NCc2ccc(Br)cc2F)CCC1.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol?
The InChIKey is SCSMGPXTBWIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-3-2-9(11(14)6-10)7-15-12(8-16)4-1-5-12/h2-3,6,15-16H,1,4-5,7-8H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol?
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol has a molecular weight of 288.16 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).