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

C13H17BrFNO — CID 62522578

IUPAC[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C13H17BrFNO/c14-11-4-3-10(12(15)7-11)8-16-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9H2
InChIKeyUFRBYPWAYKWLBI-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.98
Rot. Bonds4

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

[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol (PubChem CID 62522578) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
PubChem CID62522578
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C13H17BrFNO/c14-11-4-3-10(12(15)7-11)8-16-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9H2
InChIKeyUFRBYPWAYKWLBI-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
CID 115733345
N-[(4-bromo-2-fluorophenyl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024824
[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
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
CID 115763151
4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 107452835
[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520098
N-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424919
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 86780208
[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol (CID 62522578) is [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol is OCC1(NCc2ccc(Br)cc2F)CCCC1.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol?
The InChIKey is UFRBYPWAYKWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-11-4-3-10(12(15)7-11)8-16-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol?
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol has a molecular weight of 302.19 g/mol, XLogP of 2.98, 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]cyclopentyl]methanol is sourced from PubChem (CID 62522578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).