1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine

C14H19BrFN — CID 105015690

IUPAC1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)C(C)C1CC1
InChIInChI=1S/C14H19BrFN/c1-9(11-3-4-11)14(17-2)7-10-5-12(15)8-13(16)6-10/h5-6,8-9,11,14,17H,3-4,7H2,1-2H3
InChIKeySYPGPJPHOVGOHR-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.76
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine

1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine (PubChem CID 105015690) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
PubChem CID105015690
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)C(C)C1CC1
InChIInChI=1S/C14H19BrFN/c1-9(11-3-4-11)14(17-2)7-10-5-12(15)8-13(16)6-10/h5-6,8-9,11,14,17H,3-4,7H2,1-2H3
InChIKeySYPGPJPHOVGOHR-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
CID 79710185
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 107891920
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
CID 112570523
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105015421

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine (CID 105015690) is 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine is CNC(Cc1cc(F)cc(Br)c1)C(C)C1CC1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
The InChIKey is SYPGPJPHOVGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9(11-3-4-11)14(17-2)7-10-5-12(15)8-13(16)6-10/h5-6,8-9,11,14,17H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine has a molecular weight of 300.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine is sourced from PubChem (CID 105015690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).