1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine

C15H23BrFN — CID 79709200

IUPAC1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)cc(Br)c1)CC(C)C
InChIInChI=1S/C15H23BrFN/c1-4-5-18-15(6-11(2)3)9-12-7-13(16)10-14(17)8-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyNCAJJURMSOOMTK-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds7

About 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine

1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 79709200) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID79709200
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)cc(Br)c1)CC(C)C
InChIInChI=1S/C15H23BrFN/c1-4-5-18-15(6-11(2)3)9-12-7-13(16)10-14(17)8-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyNCAJJURMSOOMTK-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 79712186
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 79708447
2-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79708857
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
N-[2-(3-bromo-5-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 105015390
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N-[2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105015509
N-[2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 79699836

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine (CID 79709200) is 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(F)cc(Br)c1)CC(C)C.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is NCAJJURMSOOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-5-18-15(6-11(2)3)9-12-7-13(16)10-14(17)8-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 7 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)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 79709200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).