1-(2-bromo-5-fluorophenyl)pentan-2-amine

C11H15BrFN — CID 62601078

IUPAC1-(2-bromo-5-fluorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFN/c1-2-3-10(14)7-8-6-9(13)4-5-11(8)12/h4-6,10H,2-3,7,14H2,1H3
InChIKeyGSYBCPNVLYPMNS-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.26
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)pentan-2-amine

1-(2-bromo-5-fluorophenyl)pentan-2-amine (PubChem CID 62601078) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)pentan-2-amine
PubChem CID62601078
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name1-(2-bromo-5-fluorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFN/c1-2-3-10(14)7-8-6-9(13)4-5-11(8)12/h4-6,10H,2-3,7,14H2,1H3
InChIKeyGSYBCPNVLYPMNS-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
4-(2-bromo-5-fluorophenyl)-1-N,1-N-diethylbutane-1,3-diamine
CID 79087890
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928014
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
1-(2-bromo-5-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132660
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)pentan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)pentan-2-amine (CID 62601078) is 1-(2-bromo-5-fluorophenyl)pentan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)pentan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)pentan-2-amine is CCCC(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)pentan-2-amine?
The InChIKey is GSYBCPNVLYPMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-2-3-10(14)7-8-6-9(13)4-5-11(8)12/h4-6,10H,2-3,7,14H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)pentan-2-amine?
1-(2-bromo-5-fluorophenyl)pentan-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)pentan-2-amine is sourced from PubChem (CID 62601078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).