2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine

C15H23BrFNO — CID 83045564

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-4-5-13(10-18-9-11(2)3)19-15-7-6-12(17)8-14(15)16/h6-8,11,13,18H,4-5,9-10H2,1-3H3
InChIKeyJBKVIDUQKLRYDI-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.38
Rot. Bonds8

About 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine

2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 83045564) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID83045564
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-4-5-13(10-18-9-11(2)3)19-15-7-6-12(17)8-14(15)16/h6-8,11,13,18H,4-5,9-10H2,1-3H3
InChIKeyJBKVIDUQKLRYDI-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
2-(2-bromo-4-fluorophenoxy)-3-methyl-N-propylbutan-1-amine
CID 55078029
N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine
CID 83046652
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine
CID 83044384
2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
CID 83044360
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine (CID 83045564) is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is JBKVIDUQKLRYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-4-5-13(10-18-9-11(2)3)19-15-7-6-12(17)8-14(15)16/h6-8,11,13,18H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 332.26 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 83045564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).