1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine

C16H25BrN2O — CID 102770635

IUPAC1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC1COC(C)CN1Cc1ccc(CNC)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-4-15-11-20-12(2)9-19(15)10-14-6-5-13(8-18-3)7-16(14)17/h5-7,12,15,18H,4,8-11H2,1-3H3
InChIKeyOCKAVDKMBJIBSF-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.17
Rot. Bonds5

About 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 102770635) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID102770635
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC1COC(C)CN1Cc1ccc(CNC)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-4-15-11-20-12(2)9-19(15)10-14-6-5-13(8-18-3)7-16(14)17/h5-7,12,15,18H,4,8-11H2,1-3H3
InChIKeyOCKAVDKMBJIBSF-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 102769702
N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
CID 102769704
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62461076
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556582
1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771048
4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
CID 60690951
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 55059279
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771028
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82974433

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine (CID 102770635) is 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine is CCC1COC(C)CN1Cc1ccc(CNC)cc1Br.
What is the InChIKey of 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is OCKAVDKMBJIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-15-11-20-12(2)9-19(15)10-14-6-5-13(8-18-3)7-16(14)17/h5-7,12,15,18H,4,8-11H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102770635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).