(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine

C15H20ClNO2 — CID 11708951

IUPAC(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine
SMILESC/C=C/COc1ccc(C[C@@H]2CNCCO2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-2-3-7-19-15-5-4-12(10-14(15)16)9-13-11-17-6-8-18-13/h2-5,10,13,17H,6-9,11H2,1H3/b3-2+/t13-/m1/s1
InChIKeyNSUQSBSTJFBEOF-YWVDXFKGSA-N
MW281.78 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine

(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine (PubChem CID 11708951) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine
PubChem CID11708951
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine
SMILESC/C=C/COc1ccc(C[C@@H]2CNCCO2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-2-3-7-19-15-5-4-12(10-14(15)16)9-13-11-17-6-8-18-13/h2-5,10,13,17H,6-9,11H2,1H3/b3-2+/t13-/m1/s1
InChIKeyNSUQSBSTJFBEOF-YWVDXFKGSA-N
XLogP2.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine with MolForge

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Related Compounds

2-(2-chlorophenoxy)-N-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]ethanamine
CID 137651819
4-[5-(2-Chloro-4-methylphenoxy)pentyl]morpholine
CID 4141331
[2-(4-Chloro-phenoxy)-ethyl]-(3-p-tolyloxy-propyl)-amine
CID 10758004
1-(3-Chlorophenyl)-2-[1-(4-pentoxyphenyl)propan-2-ylamino]ethanol
CID 20227976
1-(2-Chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 22640863
4-[(2-Chloro-phenoxy)-phenyl-methyl]-piperidine
CID 44368027
Rac-syn-2-((3-chloro-2-ethoxyphenoxy)(phenyl)methyl)morpholine
CID 44449944
(2S)-2-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]morpholine
CID 44450155
((3R,4R)-4-(2-chlorophenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 44587448
((3S,4S)-4-(2-chlorophenoxy)isochroman-3-yl)-N-methylmethanamine
CID 44593692
(R)-2-((4-(4-chlorobenzyl)phenoxy)methyl)piperidine
CID 46888146
(S)-2-((4-(4-chlorobenzyl)phenoxy)methyl)piperidine
CID 46888147

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine?
The IUPAC name of (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine (CID 11708951) is (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine is C/C=C/COc1ccc(C[C@@H]2CNCCO2)cc1Cl.
What is the InChIKey of (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine?
The InChIKey is NSUQSBSTJFBEOF-YWVDXFKGSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-3-7-19-15-5-4-12(10-14(15)16)9-13-11-17-6-8-18-13/h2-5,10,13,17H,6-9,11H2,1H3/b3-2+/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine?
(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine has a molecular weight of 281.78 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine is sourced from PubChem (CID 11708951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).