2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one

C16H23ClN2O2 — CID 60963891

IUPAC2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-11(2)15(18)16(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3
InChIKeyCUOUQQPONVJZHQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one

2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one (PubChem CID 60963891) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
PubChem CID60963891
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-11(2)15(18)16(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3
InChIKeyCUOUQQPONVJZHQ-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
CID 104684562
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
CID 124591529
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one (CID 60963891) is 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
The InChIKey is CUOUQQPONVJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-11(2)15(18)16(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3.
What are the key properties of 2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one has a molecular weight of 310.82 g/mol, XLogP of 2.61, 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-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one is sourced from PubChem (CID 60963891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).