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

C15H23BrFN — CID 82983946

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H23BrFN/c1-4-6-11(7-5-2)15(18-3)12-8-9-14(17)13(16)10-12/h8-11,15,18H,4-7H2,1-3H3
InChIKeyFMPJTFIEWRZQAR-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.07
Rot. Bonds7

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

1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine (PubChem CID 82983946) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
PubChem CID82983946
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H23BrFN/c1-4-6-11(7-5-2)15(18-3)12-8-9-14(17)13(16)10-12/h8-11,15,18H,4-7H2,1-3H3
InChIKeyFMPJTFIEWRZQAR-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-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol
CID 82988198
1-(4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82984028
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
CID 79746685
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
1-(3-bromo-4-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922196
1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
CID 105018498

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine (CID 82983946) is 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is FMPJTFIEWRZQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-6-11(7-5-2)15(18-3)12-8-9-14(17)13(16)10-12/h8-11,15,18H,4-7H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
1-(3-bromo-4-fluorophenyl)-N-methyl-2-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)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 82983946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).