1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine

C13H16BrF2NO2 — CID 83229348

IUPAC1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine
SMILESFC(F)Oc1ccc(Br)cc1CNOC1CCCC1
InChIInChI=1S/C13H16BrF2NO2/c14-10-5-6-12(18-13(15)16)9(7-10)8-17-19-11-3-1-2-4-11/h5-7,11,13,17H,1-4,8H2
InChIKeyYATBFHFPXPLIHR-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.01
Rot. Bonds6

About 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine

1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine (PubChem CID 83229348) has the molecular formula C13H16BrF2NO2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine
PubChem CID83229348
Molecular FormulaC13H16BrF2NO2
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine
SMILESFC(F)Oc1ccc(Br)cc1CNOC1CCCC1
InChIInChI=1S/C13H16BrF2NO2/c14-10-5-6-12(18-13(15)16)9(7-10)8-17-19-11-3-1-2-4-11/h5-7,11,13,17H,1-4,8H2
InChIKeyYATBFHFPXPLIHR-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-cyclopentylmethanamine
CID 43432520
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-methylpiperidin-4-amine
CID 43223597
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 61020258
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
CID 117460990
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715327
4-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509911
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-ethoxycyclobutan-1-amine
CID 103917713
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-2-amine
CID 43221077
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 43221984
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763481

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine?
The IUPAC name of 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine (CID 83229348) is 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine.
What is the SMILES notation for 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine?
The canonical SMILES for 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine is FC(F)Oc1ccc(Br)cc1CNOC1CCCC1.
What is the InChIKey of 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine?
The InChIKey is YATBFHFPXPLIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO2/c14-10-5-6-12(18-13(15)16)9(7-10)8-17-19-11-3-1-2-4-11/h5-7,11,13,17H,1-4,8H2.
What are the key properties of 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine?
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine has a molecular weight of 336.18 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine is sourced from PubChem (CID 83229348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).