2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine

C15H24BrNO2 — CID 104708465

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C15H24BrNO2/c1-5-12(10-17-9-11(2)3)19-15-7-6-13(18-4)8-14(15)16/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyJEYKDQBSGKFTNQ-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.86
Rot. Bonds8

About 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine

2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 104708465) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID104708465
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C15H24BrNO2/c1-5-12(10-17-9-11(2)3)19-15-7-6-13(18-4)8-14(15)16/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyJEYKDQBSGKFTNQ-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
CID 62459460
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104708435
2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
CID 79404261
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63496259
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 63492520

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine (CID 104708465) is 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)Oc1ccc(OC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is JEYKDQBSGKFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-12(10-17-9-11(2)3)19-15-7-6-13(18-4)8-14(15)16/h6-8,11-12,17H,5,9-10H2,1-4H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine?
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 104708465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).