1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine

C13H19BrFN — CID 79742839

IUPAC1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-3-5-13(16-8-4-2)11-9-10(14)6-7-12(11)15/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyAWXJIOXZNFPBQP-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.43
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine

1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine (PubChem CID 79742839) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
PubChem CID79742839
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-3-5-13(16-8-4-2)11-9-10(14)6-7-12(11)15/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyAWXJIOXZNFPBQP-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 79743201
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282
1-(2-bromo-3,4-difluorophenyl)-N-propylbutan-1-amine
CID 107539429
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 114982462
N-[(5-bromo-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]propan-1-amine
CID 105011819
N-[1-(5-bromo-2-fluorophenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987477
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
CID 105280659

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine (CID 79742839) is 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine is CCCNC(CCC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine?
The InChIKey is AWXJIOXZNFPBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-5-13(16-8-4-2)11-9-10(14)6-7-12(11)15/h6-7,9,13,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine?
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 79742839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).