1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine

C13H17BrFNO — CID 117486565

IUPAC1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(F)cc(Br)c1OC1CCC1
InChIInChI=1S/C13H17BrFNO/c1-8(16)5-9-6-10(15)7-12(14)13(9)17-11-3-2-4-11/h6-8,11H,2-5,16H2,1H3
InChIKeySACKJKRMKDWVLD-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.41
Rot. Bonds4

About 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine

1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine (PubChem CID 117486565) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
PubChem CID117486565
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(F)cc(Br)c1OC1CCC1
InChIInChI=1S/C13H17BrFNO/c1-8(16)5-9-6-10(15)7-12(14)13(9)17-11-3-2-4-11/h6-8,11H,2-5,16H2,1H3
InChIKeySACKJKRMKDWVLD-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
CID 82930684
2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486544
N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
CID 117441591
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
1-[3,5-dibromo-4-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 107739848
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
CID 117459055
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(3,5-dibromo-4-cycloheptyloxyphenyl)butan-2-amine
CID 107739935

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine (CID 117486565) is 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine is CC(N)Cc1cc(F)cc(Br)c1OC1CCC1.
What is the InChIKey of 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
The InChIKey is SACKJKRMKDWVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8(16)5-9-6-10(15)7-12(14)13(9)17-11-3-2-4-11/h6-8,11H,2-5,16H2,1H3.
What are the key properties of 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine?
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine has a molecular weight of 302.19 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 117486565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).