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

C15H22BrClN2O2 — CID 120561194

IUPAC4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCOC(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-11(17)2-7-15(19)18-8-9-20-14(10-18)12-3-5-13(16)6-4-12;/h3-6,11,14H,2,7-10,17H2,1H3;1H
InChIKeyZKTVKRDYWKLHIQ-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.90
Rot. Bonds4

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

4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride (PubChem CID 120561194) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
PubChem CID120561194
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCOC(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-11(17)2-7-15(19)18-8-9-20-14(10-18)12-3-5-13(16)6-4-12;/h3-6,11,14H,2,7-10,17H2,1H3;1H
InChIKeyZKTVKRDYWKLHIQ-UHFFFAOYSA-N
XLogP2.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 120563675
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
CID 110664958
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 110632312

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride (CID 120561194) is 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCOC(c2ccc(Br)cc2)C1.Cl.
What is the InChIKey of 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
The InChIKey is ZKTVKRDYWKLHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-11(17)2-7-15(19)18-8-9-20-14(10-18)12-3-5-13(16)6-4-12;/h3-6,11,14H,2,7-10,17H2,1H3;1H.
What are the key properties of 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120561194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).