2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine

C12H17BrFNO — CID 58603321

IUPAC2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-3-15(4-2)7-8-16-12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQDXWHXMQRNDTKQ-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.31
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine

2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine (PubChem CID 58603321) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
PubChem CID58603321
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-3-15(4-2)7-8-16-12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQDXWHXMQRNDTKQ-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-(4-bromo-2-nitrophenoxy)-N,N-diethylethanamine
CID 61373429
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687173
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
CID 59873231
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 62598740
4-(4-bromo-2-fluorophenoxy)-2-ethoxybutanoic acid
CID 63074142
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
CID 81331369
2-(2-bromoethoxy)-N-[(4-bromo-2-fluorophenyl)methyl]-N-ethylethanamine
CID 114263743
5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide
CID 82919302
N-[2-(4-bromo-2-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 62598204
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
CID 43378172

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine (CID 58603321) is 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine is CCN(CC)CCOc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine?
The InChIKey is QDXWHXMQRNDTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-15(4-2)7-8-16-12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine?
2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine has a molecular weight of 290.18 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine is sourced from PubChem (CID 58603321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).