2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine

C14H20BrNO — CID 106200135

IUPAC2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
SMILESNCC(OCCC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c15-13-6-2-5-12(9-13)14(10-16)17-8-7-11-3-1-4-11/h2,5-6,9,11,14H,1,3-4,7-8,10,16H2
InChIKeySHAQYXDFPXKWRU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds6

About 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine

2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine (PubChem CID 106200135) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
PubChem CID106200135
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
SMILESNCC(OCCC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c15-13-6-2-5-12(9-13)14(10-16)17-8-7-11-3-1-4-11/h2,5-6,9,11,14H,1,3-4,7-8,10,16H2
InChIKeySHAQYXDFPXKWRU-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[1-(2-cyclobutylethoxy)-2-iodoethyl]benzene
CID 106204833
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200075
2-(2-cyclobutylethoxy)-2-pyridin-3-ylethanamine
CID 106200033
2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 114157313
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 113478752
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
CID 55018005
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine (CID 106200135) is 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine is NCC(OCCC1CCC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
The InChIKey is SHAQYXDFPXKWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-6-2-5-12(9-13)14(10-16)17-8-7-11-3-1-4-11/h2,5-6,9,11,14H,1,3-4,7-8,10,16H2.
What are the key properties of 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine is sourced from PubChem (CID 106200135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).