3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine

C16H23BrN2O — CID 79082739

IUPAC3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCOC(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H23BrN2O/c1-19-6-7-20-16(11-19)10-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-5,13,15-16,18H,6-11H2,1H3
InChIKeyOLWBPHOUMFLXPO-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.62
Rot. Bonds4

About 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine (PubChem CID 79082739) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
PubChem CID79082739
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCOC(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H23BrN2O/c1-19-6-7-20-16(11-19)10-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-5,13,15-16,18H,6-11H2,1H3
InChIKeyOLWBPHOUMFLXPO-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79083029
3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
CID 63897610
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79083040
(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
CID 95751208
3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633757
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-pyridin-4-ylcyclobutan-1-amine
CID 136573914
N-[(5-bromo-2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95277799
N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960546
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 107167877
(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine
CID 124863830

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine (CID 79082739) is 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine is CN1CCOC(CNC2CC(c3ccc(Br)cc3)C2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is OLWBPHOUMFLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-19-6-7-20-16(11-19)10-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-5,13,15-16,18H,6-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 339.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79082739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).