2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine

C14H22BrNO — CID 62460334

IUPAC2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccc(C)cc1Br)C(C)C
InChIInChI=1S/C14H22BrNO/c1-5-16-9-14(10(2)3)17-13-7-6-11(4)8-12(13)15/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyPXDFNGLBWCTKSG-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.77
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine

2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine (PubChem CID 62460334) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
PubChem CID62460334
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccc(C)cc1Br)C(C)C
InChIInChI=1S/C14H22BrNO/c1-5-16-9-14(10(2)3)17-13-7-6-11(4)8-12(13)15/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyPXDFNGLBWCTKSG-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-3-methyl-N-propylbutan-1-amine
CID 55078029
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 107286248
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
CID 55195060
N-[[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552938

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine (CID 62460334) is 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine is CCNCC(Oc1ccc(C)cc1Br)C(C)C.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is PXDFNGLBWCTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-16-9-14(10(2)3)17-13-7-6-11(4)8-12(13)15/h6-8,10,14,16H,5,9H2,1-4H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine?
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62460334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).