3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine

C14H21BrFNO — CID 65201280

IUPAC3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)COc1ccc(Br)c(F)c1
InChIInChI=1S/C14H21BrFNO/c1-10(8-17-14(2,3)4)9-18-11-5-6-12(15)13(16)7-11/h5-7,10,17H,8-9H2,1-4H3
InChIKeyUQIYAZSGUXKDRD-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.99
Rot. Bonds5

About 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine

3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine (PubChem CID 65201280) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
PubChem CID65201280
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)COc1ccc(Br)c(F)c1
InChIInChI=1S/C14H21BrFNO/c1-10(8-17-14(2,3)4)9-18-11-5-6-12(15)13(16)7-11/h5-7,10,17H,8-9H2,1-4H3
InChIKeyUQIYAZSGUXKDRD-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

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Related Compounds

3-(4-bromo-3-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 65201278
3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
CID 114674448
1-bromo-4-[2-(bromomethyl)-3,3-dimethylbutoxy]-2-fluorobenzene
CID 65203647
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
CID 62484954
N-[[4-(4-bromo-3-fluorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 65201323
3-(4-bromo-3-fluorophenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626121
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
5-(4-bromo-3-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65256229
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103074282
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine (CID 65201280) is 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine is CC(CNC(C)(C)C)COc1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
The InChIKey is UQIYAZSGUXKDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-10(8-17-14(2,3)4)9-18-11-5-6-12(15)13(16)7-11/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine?
3-(4-bromo-3-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-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine is sourced from PubChem (CID 65201280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).