N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine

C14H21BrFNO — CID 114677015

IUPACN-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Oc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-4-5-10(2)17-9-11(3)18-14-8-12(15)6-7-13(14)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyKBGVTSJEZBLOIK-UHFFFAOYSA-N
MW318.23 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine

N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine (PubChem CID 114677015) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine
PubChem CID114677015
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC NameN-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Oc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-4-5-10(2)17-9-11(3)18-14-8-12(15)6-7-13(14)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyKBGVTSJEZBLOIK-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

N-[2-(2,5-difluorophenoxy)propyl]pentan-2-amine
CID 63272991
N-[2-(4-bromophenoxy)propyl]pentan-2-amine
CID 62572592
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
N-[2-(2-chloro-4-fluorophenoxy)propyl]pentan-2-amine
CID 62599082
N-[2-(3,5-difluorophenoxy)propyl]pentan-2-amine
CID 62785273
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
CID 83044360
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
CID 76997631
N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091
N-[2-(5-bromo-2-fluorophenoxy)ethyl]butan-2-amine
CID 114676978

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine (CID 114677015) is N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine is CCCC(C)NCC(C)Oc1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine?
The InChIKey is KBGVTSJEZBLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-4-5-10(2)17-9-11(3)18-14-8-12(15)6-7-13(14)16/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine?
N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-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 N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine is sourced from PubChem (CID 114677015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).