3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine

C14H21BrFNO — CID 114674448

IUPAC3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)COc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-10(8-17-14(2,3)4)9-18-13-7-11(15)5-6-12(13)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyZPCOZCLMHMGWFH-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.99
Rot. Bonds5

About 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine

3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine (PubChem CID 114674448) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
PubChem CID114674448
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)COc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-10(8-17-14(2,3)4)9-18-13-7-11(15)5-6-12(13)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyZPCOZCLMHMGWFH-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-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

3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine
CID 114674436
3-(5-bromo-2-fluorophenoxy)-2-methylpropane-1-thiol
CID 114677242
3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
CID 65201280
4-bromo-2-[2-(bromomethyl)-3,3-dimethylbutoxy]-1-fluorobenzene
CID 114672165
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
N-tert-butyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpropan-1-amine
CID 114417430
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
methyl 2-bromo-3-(5-bromo-2-fluorophenoxy)propanoate
CID 114671584
1-(2-amino-5-bromophenoxy)-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 21421211
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114676838

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine (CID 114674448) is 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine is CC(CNC(C)(C)C)COc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
The InChIKey is ZPCOZCLMHMGWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-10(8-17-14(2,3)4)9-18-13-7-11(15)5-6-12(13)16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine has a molecular weight of 318.23 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine is sourced from PubChem (CID 114674448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).