1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine

C16H25BrN2O — CID 63817747

IUPAC1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H25BrN2O/c1-11(18)7-13-5-6-14(17)8-15(13)19-9-12(2)20-16(3,4)10-19/h5-6,8,11-12H,7,9-10,18H2,1-4H3
InChIKeySKFKCZAKIWQGCI-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.34
Rot. Bonds3

About 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine

1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 63817747) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
PubChem CID63817747
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H25BrN2O/c1-11(18)7-13-5-6-14(17)8-15(13)19-9-12(2)20-16(3,4)10-19/h5-6,8,11-12H,7,9-10,18H2,1-4H3
InChIKeySKFKCZAKIWQGCI-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 82970938
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63794895
5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
CID 114892979
(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 63368851
1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114861313
(2R,6S)-4-[5-bromo-2-(bromomethyl)phenyl]-2,6-dimethylmorpholine
CID 107085389
1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236797
[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777542
[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777528
[4-bromo-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742898
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine (CID 63817747) is 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(Br)cc1N1CC(C)OC(C)(C)C1.
What is the InChIKey of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is SKFKCZAKIWQGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(18)7-13-5-6-14(17)8-15(13)19-9-12(2)20-16(3,4)10-19/h5-6,8,11-12H,7,9-10,18H2,1-4H3.
What are the key properties of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine?
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 341.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63817747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).