2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine

C15H22BrNO — CID 116714652

IUPAC2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(Cc1ccccc1Br)C1(OC)CCC1
InChIInChI=1S/C15H22BrNO/c1-3-17-14(15(18-2)9-6-10-15)11-12-7-4-5-8-13(12)16/h4-5,7-8,14,17H,3,6,9-11H2,1-2H3
InChIKeyLJQDBAJVFPLLOJ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine

2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine (PubChem CID 116714652) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
PubChem CID116714652
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(Cc1ccccc1Br)C1(OC)CCC1
InChIInChI=1S/C15H22BrNO/c1-3-17-14(15(18-2)9-6-10-15)11-12-7-4-5-8-13(12)16/h4-5,7-8,14,17H,3,6,9-11H2,1-2H3
InChIKeyLJQDBAJVFPLLOJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766591
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine (CID 116714652) is 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine is CCNC(Cc1ccccc1Br)C1(OC)CCC1.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
The InChIKey is LJQDBAJVFPLLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-17-14(15(18-2)9-6-10-15)11-12-7-4-5-8-13(12)16/h4-5,7-8,14,17H,3,6,9-11H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 116714652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).