2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one

C15H21BrN2O2 — CID 119302691

IUPAC2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O2/c1-2-3-13(17)15(19)18-8-9-20-14(10-18)11-4-6-12(16)7-5-11/h4-7,13-14H,2-3,8-10,17H2,1H3
InChIKeyDAZHGJIWCJXTAI-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.48
Rot. Bonds4

About 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one

2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one (PubChem CID 119302691) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
PubChem CID119302691
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O2/c1-2-3-13(17)15(19)18-8-9-20-14(10-18)11-4-6-12(16)7-5-11/h4-7,13-14H,2-3,8-10,17H2,1H3
InChIKeyDAZHGJIWCJXTAI-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373
(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one (CID 119302691) is 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one is CCCC(N)C(=O)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one?
The InChIKey is DAZHGJIWCJXTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-2-3-13(17)15(19)18-8-9-20-14(10-18)11-4-6-12(16)7-5-11/h4-7,13-14H,2-3,8-10,17H2,1H3.
What are the key properties of 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one?
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one has a molecular weight of 341.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one is sourced from PubChem (CID 119302691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).