N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine

C11H15BrFN — CID 62548311

IUPACN-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFN/c1-8(2)14-6-5-9-7-10(12)3-4-11(9)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyNFYCBRGWMPHGAV-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine

N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine (PubChem CID 62548311) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
PubChem CID62548311
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFN/c1-8(2)14-6-5-9-7-10(12)3-4-11(9)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyNFYCBRGWMPHGAV-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 115130446
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
2-[2-(5-bromo-2-fluorophenyl)ethylamino]butanedioic acid
CID 115144453
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
5-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 64514586
5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
CID 83933937
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
1-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111077808
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 55185963

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine (CID 62548311) is N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine is CC(C)NCCc1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is NFYCBRGWMPHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-8(2)14-6-5-9-7-10(12)3-4-11(9)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine?
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62548311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).