2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

C13H20BrNO2 — CID 103228325

IUPAC2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-10(2)15-8-13(9-16-3)17-12-6-4-5-11(14)7-12/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyCKYIHBHYRZEBHZ-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.84
Rot. Bonds7

About 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103228325) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103228325
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-10(2)15-8-13(9-16-3)17-12-6-4-5-11(14)7-12/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyCKYIHBHYRZEBHZ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228503
3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine
CID 103228196
2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228708
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63497455
2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
2-(3-bromophenoxy)-3-methoxypropanehydrazide
CID 103229217
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103228325) is 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is CKYIHBHYRZEBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-10(2)15-8-13(9-16-3)17-12-6-4-5-11(14)7-12/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 302.21 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103228325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).