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

C15H21ClN2O2 — CID 107569033

IUPAC(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/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/t13-,14?/m0/s1
InChIKeyDUKHQMGVFZWKOM-LSLKUGRBSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds4

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

(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one (PubChem CID 107569033) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
PubChem CID107569033
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/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/t13-,14?/m0/s1
InChIKeyDUKHQMGVFZWKOM-LSLKUGRBSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.37
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
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
CID 104684562
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one (CID 107569033) is (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one is CCC[C@H](N)C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
The InChIKey is DUKHQMGVFZWKOM-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H21ClN2O2/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/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one is sourced from PubChem (CID 107569033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).