1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine

C14H22BrNO — CID 55132091

IUPAC1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine
SMILESCC(C)CC(C)Oc1ccc(C(C)N)cc1Br
InChIInChI=1S/C14H22BrNO/c1-9(2)7-10(3)17-14-6-5-12(11(4)16)8-13(14)15/h5-6,8-11H,7,16H2,1-4H3
InChIKeyUVPNMODXHDLAPD-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.28
Rot. Bonds5

About 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine

1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine (PubChem CID 55132091) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine
PubChem CID55132091
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine
SMILESCC(C)CC(C)Oc1ccc(C(C)N)cc1Br
InChIInChI=1S/C14H22BrNO/c1-9(2)7-10(3)17-14-6-5-12(11(4)16)8-13(14)15/h5-6,8-11H,7,16H2,1-4H3
InChIKeyUVPNMODXHDLAPD-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-bromo-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956397
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
(1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 78937966
1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 62910865
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43189068
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
1-(3-bromo-4-propoxyphenyl)-3-methylbutan-1-amine
CID 113438084

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine (CID 55132091) is 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine is CC(C)CC(C)Oc1ccc(C(C)N)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The InChIKey is UVPNMODXHDLAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-9(2)7-10(3)17-14-6-5-12(11(4)16)8-13(14)15/h5-6,8-11H,7,16H2,1-4H3.
What are the key properties of 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine has a molecular weight of 300.24 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 55132091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).