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

C14H20BrNO — CID 114157313

IUPAC2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
SMILESNCC(OCCC1CCC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c15-13-7-2-1-6-12(13)14(10-16)17-9-8-11-4-3-5-11/h1-2,6-7,11,14H,3-5,8-10,16H2
InChIKeyCPDFXIQHRZRZGM-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds6

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

2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine (PubChem CID 114157313) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
PubChem CID114157313
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
SMILESNCC(OCCC1CCC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c15-13-7-2-1-6-12(13)14(10-16)17-9-8-11-4-3-5-11/h1-2,6-7,11,14H,3-5,8-10,16H2
InChIKeyCPDFXIQHRZRZGM-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-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
CID 106200055
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200075
2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200135
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82004824
2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
2-(2-cyclobutylethoxy)-2-pyridin-3-ylethanamine
CID 106200033
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol
CID 103167225
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
2-(2-chlorophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205061

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine (CID 114157313) is 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine is NCC(OCCC1CCC1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
The InChIKey is CPDFXIQHRZRZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-7-2-1-6-12(13)14(10-16)17-9-8-11-4-3-5-11/h1-2,6-7,11,14H,3-5,8-10,16H2.
What are the key properties of 2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine?
2-(2-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-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine is sourced from PubChem (CID 114157313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).