[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine

C12H18BrNO2 — CID 103486275

IUPAC[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
SMILESCCOCC(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C12H18BrNO2/c1-3-15-8-9(2)16-12-5-4-11(13)6-10(12)7-14/h4-6,9H,3,7-8,14H2,1-2H3
InChIKeyFZUZBAZCMRIFAJ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.71
Rot. Bonds6

About [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine

[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine (PubChem CID 103486275) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
PubChem CID103486275
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
SMILESCCOCC(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C12H18BrNO2/c1-3-15-8-9(2)16-12-5-4-11(13)6-10(12)7-14/h4-6,9H,3,7-8,14H2,1-2H3
InChIKeyFZUZBAZCMRIFAJ-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
CID 114889945
(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
CID 62387607
1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine
CID 103488796
2-[2-(aminomethyl)-4-bromophenoxy]butanoic acid
CID 64669698
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
2-(4-bromo-2-ethoxyphenoxy)propan-1-amine
CID 22688857
[3-(1-ethoxypropan-2-yloxy)-2-pyridinyl]methanamine
CID 103486303
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
3-bromo-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103490829
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine (CID 103486275) is [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine is CCOCC(C)Oc1ccc(Br)cc1CN.
What is the InChIKey of [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine?
The InChIKey is FZUZBAZCMRIFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-3-15-8-9(2)16-12-5-4-11(13)6-10(12)7-14/h4-6,9H,3,7-8,14H2,1-2H3.
What are the key properties of [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine?
[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine has a molecular weight of 288.19 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine is sourced from PubChem (CID 103486275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).