(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine

C14H20BrNO2 — CID 99979834

IUPAC(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
SMILESCCCN1CCO[C@@H](COc2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO2/c1-2-6-16-7-8-17-14(10-16)11-18-13-5-3-4-12(15)9-13/h3-5,9,14H,2,6-8,10-11H2,1H3/t14-/m1/s1
InChIKeyBLZHQVBEYZCRFV-CQSZACIVSA-N
MW314.22 g/mol
LogP2.94
Rot. Bonds5

About (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine

(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine (PubChem CID 99979834) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine.

Molecular Properties

Compound Name(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
PubChem CID99979834
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
SMILESCCCN1CCO[C@@H](COc2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO2/c1-2-6-16-7-8-17-14(10-16)11-18-13-5-3-4-12(15)9-13/h3-5,9,14H,2,6-8,10-11H2,1H3/t14-/m1/s1
InChIKeyBLZHQVBEYZCRFV-CQSZACIVSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine?
The IUPAC name of (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine (CID 99979834) is (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine.
What is the SMILES notation for (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine?
The canonical SMILES for (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine is CCCN1CCO[C@@H](COc2cccc(Br)c2)C1.
What is the InChIKey of (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine?
The InChIKey is BLZHQVBEYZCRFV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-6-16-7-8-17-14(10-16)11-18-13-5-3-4-12(15)9-13/h3-5,9,14H,2,6-8,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine?
(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine has a molecular weight of 314.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine is sourced from PubChem (CID 99979834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).