2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine

C16H24BrNO — CID 106205111

IUPAC2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
SMILESCCNCC(OCCC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-2-18-12-16(14-6-8-15(17)9-7-14)19-11-10-13-4-3-5-13/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeySFTBCLJIGMSHLJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.31
Rot. Bonds8

About 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine

2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine (PubChem CID 106205111) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
PubChem CID106205111
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
SMILESCCNCC(OCCC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-2-18-12-16(14-6-8-15(17)9-7-14)19-11-10-13-4-3-5-13/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeySFTBCLJIGMSHLJ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200075
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
CID 166785433
2-(2-chlorophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205061
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
CID 106205093
2-(2-cyclopropylethoxy)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 106204917
N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
CID 106205044

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine (CID 106205111) is 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine is CCNCC(OCCC1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine?
The InChIKey is SFTBCLJIGMSHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-18-12-16(14-6-8-15(17)9-7-14)19-11-10-13-4-3-5-13/h6-9,13,16,18H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine?
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine is sourced from PubChem (CID 106205111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).