1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine

C15H23BrFN — CID 79747198

IUPAC1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(Br)c1)C(C)CCC
InChIInChI=1S/C15H23BrFN/c1-4-6-11(3)15(18-9-5-2)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyAPSNKUISHLJOLE-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.07
Rot. Bonds7

About 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine

1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 79747198) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID79747198
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(Br)c1)C(C)CCC
InChIInChI=1S/C15H23BrFN/c1-4-6-11(3)15(18-9-5-2)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyAPSNKUISHLJOLE-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82983946
1-(2-bromo-3,4-difluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 107897004
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105399147
N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 79747443
N-[(3-bromo-4-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79747033
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine (CID 79747198) is 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(F)c(Br)c1)C(C)CCC.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is APSNKUISHLJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-6-11(3)15(18-9-5-2)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 79747198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).