2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine

C14H21BrFNO — CID 83044360

IUPAC2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFNO/c1-4-5-12(9-17-10(2)3)18-14-7-6-11(15)8-13(14)16/h6-8,10,12,17H,4-5,9H2,1-3H3
InChIKeySNSWIZRVJAWDLX-UHFFFAOYSA-N
MW318.23 g/mol
LogP4.13
Rot. Bonds7

About 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine

2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 83044360) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID83044360
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFNO/c1-4-5-12(9-17-10(2)3)18-14-7-6-11(15)8-13(14)16/h6-8,10,12,17H,4-5,9H2,1-3H3
InChIKeySNSWIZRVJAWDLX-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine
CID 114677015
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107891159
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564
2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83044144
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine (CID 83044360) is 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Oc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is SNSWIZRVJAWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-4-5-12(9-17-10(2)3)18-14-7-6-11(15)8-13(14)16/h6-8,10,12,17H,4-5,9H2,1-3H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine?
2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 318.23 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83044360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).