1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine

C14H19BrFN — CID 103168480

IUPAC1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
SMILESCNC(Cc1cc(F)ccc1Br)CC1CCC1
InChIInChI=1S/C14H19BrFN/c1-17-13(7-10-3-2-4-10)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyXCKSJRSKBYATCP-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine

1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine (PubChem CID 103168480) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
PubChem CID103168480
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
SMILESCNC(Cc1cc(F)ccc1Br)CC1CCC1
InChIInChI=1S/C14H19BrFN/c1-17-13(7-10-3-2-4-10)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyXCKSJRSKBYATCP-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170468
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105232962
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine (CID 103168480) is 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine is CNC(Cc1cc(F)ccc1Br)CC1CCC1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
The InChIKey is XCKSJRSKBYATCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-17-13(7-10-3-2-4-10)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,2-4,7,9H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine has a molecular weight of 300.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine is sourced from PubChem (CID 103168480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).