1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine

C16H25ClN2O — CID 104959054

IUPAC1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1Cl
InChIInChI=1S/C16H25ClN2O/c1-5-18-13(4)15-7-6-14(8-16(15)17)19-9-11(2)20-12(3)10-19/h6-8,11-13,18H,5,9-10H2,1-4H3/t11-,12+,13?
InChIKeyHVHZRJVXGPQCPP-FUNVUKJBSA-N
MW296.84 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine

1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine (PubChem CID 104959054) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
PubChem CID104959054
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1Cl
InChIInChI=1S/C16H25ClN2O/c1-5-18-13(4)15-7-6-14(8-16(15)17)19-9-11(2)20-12(3)10-19/h6-8,11-13,18H,5,9-10H2,1-4H3/t11-,12+,13?
InChIKeyHVHZRJVXGPQCPP-FUNVUKJBSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-(2,6-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600773
2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798135
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium
CID 143518807
4-(4-tert-butyl-3-chlorophenyl)-2,6-dimethylmorpholine
CID 129268374
2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 114064893
[1-[3-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 115965439
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
5-(2,5-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600512
4-[3-chloro-4-[1-(propylamino)ethyl]phenyl]piperazine-2,6-dione
CID 66085889
1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958882

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine (CID 104959054) is 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine is CCNC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine?
The InChIKey is HVHZRJVXGPQCPP-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-18-13(4)15-7-6-14(8-16(15)17)19-9-11(2)20-12(3)10-19/h6-8,11-13,18H,5,9-10H2,1-4H3/t11-,12+,13?.
What are the key properties of 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine?
1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 104959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).