2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine

C13H17BrFNO — CID 117486544

IUPAC2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(F)cc(Br)c1OC1CCC1
InChIInChI=1S/C13H17BrFNO/c1-13(2,16)10-6-8(15)7-11(14)12(10)17-9-4-3-5-9/h6-7,9H,3-5,16H2,1-2H3
InChIKeyNCZYSHYBHUGEMX-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.71
Rot. Bonds3

About 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine

2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine (PubChem CID 117486544) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
PubChem CID117486544
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(F)cc(Br)c1OC1CCC1
InChIInChI=1S/C13H17BrFNO/c1-13(2,16)10-6-8(15)7-11(14)12(10)17-9-4-3-5-9/h6-7,9H,3-5,16H2,1-2H3
InChIKeyNCZYSHYBHUGEMX-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
4-cyclobutyloxy-3,5-difluoroaniline
CID 62115960
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
CID 84701938
N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
CID 117441591
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117498027
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117499689
3,5-dibromo-4-cyclopentyloxybenzoic acid
CID 107738683
1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine (CID 117486544) is 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine is CC(C)(N)c1cc(F)cc(Br)c1OC1CCC1.
What is the InChIKey of 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
The InChIKey is NCZYSHYBHUGEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-13(2,16)10-6-8(15)7-11(14)12(10)17-9-4-3-5-9/h6-7,9H,3-5,16H2,1-2H3.
What are the key properties of 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine has a molecular weight of 302.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 117486544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).