3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride

C15H22Cl2N2O2 — CID 120500448

IUPAC3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CCOC(c2ccccc2Cl)C1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-10(11(2)17)15(19)18-7-8-20-14(9-18)12-5-3-4-6-13(12)16;/h3-6,10-11,14H,7-9,17H2,1-2H3;1H
InChIKeyGOZGHBVTDAKZIB-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.64
Rot. Bonds3

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

3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride (PubChem CID 120500448) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
PubChem CID120500448
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CCOC(c2ccccc2Cl)C1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-10(11(2)17)15(19)18-7-8-20-14(9-18)12-5-3-4-6-13(12)16;/h3-6,10-11,14H,7-9,17H2,1-2H3;1H
InChIKeyGOZGHBVTDAKZIB-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
2-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591715
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634
1-[2-(2-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 167278438
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 110326874
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride (CID 120500448) is 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride is CC(N)C(C)C(=O)N1CCOC(c2ccccc2Cl)C1.Cl.
What is the InChIKey of 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride?
The InChIKey is GOZGHBVTDAKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-10(11(2)17)15(19)18-7-8-20-14(9-18)12-5-3-4-6-13(12)16;/h3-6,10-11,14H,7-9,17H2,1-2H3;1H.
What are the key properties of 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride?
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 120500448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).