2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine

C14H20BrNO — CID 116714359

IUPAC2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)C1(OC)CCC1
InChIInChI=1S/C14H20BrNO/c1-16-13(14(17-2)8-5-9-14)10-11-6-3-4-7-12(11)15/h3-4,6-7,13,16H,5,8-10H2,1-2H3
InChIKeyKDWMPFLYGDOGHQ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.15
Rot. Bonds5

About 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine

2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 116714359) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID116714359
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)C1(OC)CCC1
InChIInChI=1S/C14H20BrNO/c1-16-13(14(17-2)8-5-9-14)10-11-6-3-4-7-12(11)15/h3-4,6-7,13,16H,5,8-10H2,1-2H3
InChIKeyKDWMPFLYGDOGHQ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714652
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919
2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105087640
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 106268475
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine (CID 116714359) is 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine is CNC(Cc1ccccc1Br)C1(OC)CCC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is KDWMPFLYGDOGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-16-13(14(17-2)8-5-9-14)10-11-6-3-4-7-12(11)15/h3-4,6-7,13,16H,5,8-10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 116714359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).