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

C14H21BrFN — CID 106645856

IUPAC1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(Br)c1F
InChIInChI=1S/C14H21BrFN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeyDUTYMOHPSIZQHX-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.82
Rot. Bonds7

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

1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine (PubChem CID 106645856) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
PubChem CID106645856
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(Br)c1F
InChIInChI=1S/C14H21BrFN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeyDUTYMOHPSIZQHX-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
1-(3-bromo-2-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107952811
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 106645345
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
1-(3-bromo-2,6-difluorophenyl)-N-propylpentan-1-amine
CID 106942793
1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine (CID 106645856) is 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine?
The InChIKey is DUTYMOHPSIZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine?
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine has a molecular weight of 302.23 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 106645856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).