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

C13H20BrNO — CID 803221

IUPAC2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Br)cc1C
InChIInChI=1S/C13H20BrNO/c1-4-15(5-2)8-9-16-13-7-6-12(14)10-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQTXCKWVJNLIFSZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.48
Rot. Bonds6

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

2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine (PubChem CID 803221) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine
PubChem CID803221
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Br)cc1C
InChIInChI=1S/C13H20BrNO/c1-4-15(5-2)8-9-16-13-7-6-12(14)10-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQTXCKWVJNLIFSZ-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2053815
CID 2053815
CID 70657
CID 70657
CID 764311
CID 764311
CID 2923008
CID 2923008
CID 423953
CID 423953
CID 2184957
CID 2184957
CID 868356
CID 868356
CID 42439
CID 42439
CID 641270
CID 641270
CID 213877
CID 213877
CID 608315
CID 608315
CID 791262
CID 791262

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine (CID 803221) is 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine is CCN(CC)CCOc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine?
The InChIKey is QTXCKWVJNLIFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-15(5-2)8-9-16-13-7-6-12(14)10-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine?
2-(4-bromo-2-methylphenoxy)-N,N-diethylethanamine has a molecular weight of 286.21 g/mol, XLogP of 3.48, 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-methylphenoxy)-N,N-diethylethanamine is sourced from PubChem (CID 803221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).