2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride

C15H22BrClN2O2 — CID 86779755

IUPAC2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCOC(c2cccc(Br)c2)C1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-2-4-13(17)15(19)18-7-8-20-14(10-18)11-5-3-6-12(16)9-11;/h3,5-6,9,13-14H,2,4,7-8,10,17H2,1H3;1H
InChIKeyJSWZUJJLNFNDFU-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.90
Rot. Bonds4

About 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride

2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride (PubChem CID 86779755) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
PubChem CID86779755
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCOC(c2cccc(Br)c2)C1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-2-4-13(17)15(19)18-7-8-20-14(10-18)11-5-3-6-12(16)9-11;/h3,5-6,9,13-14H,2,4,7-8,10,17H2,1H3;1H
InChIKeyJSWZUJJLNFNDFU-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

2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
CID 75449543
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride (CID 86779755) is 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCOC(c2cccc(Br)c2)C1.Cl.
What is the InChIKey of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
The InChIKey is JSWZUJJLNFNDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-2-4-13(17)15(19)18-7-8-20-14(10-18)11-5-3-6-12(16)9-11;/h3,5-6,9,13-14H,2,4,7-8,10,17H2,1H3;1H.
What are the key properties of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride?
2-amino-1-[2-(3-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 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 86779755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).