(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine

C18H20BrNO2 — CID 99979793

IUPAC(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
SMILESBrc1ccccc1OC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H20BrNO2/c19-17-8-4-5-9-18(17)22-14-16-13-20(10-11-21-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2/t16-/m1/s1
InChIKeyWXYOIHOZQKLMKL-MRXNPFEDSA-N
MW362.27 g/mol
LogP3.73
Rot. Bonds5

About (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine

(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine (PubChem CID 99979793) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
PubChem CID99979793
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
SMILESBrc1ccccc1OC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H20BrNO2/c19-17-8-4-5-9-18(17)22-14-16-13-20(10-11-21-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2/t16-/m1/s1
InChIKeyWXYOIHOZQKLMKL-MRXNPFEDSA-N
XLogP3.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine
CID 154108772
methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979761
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 46041237
(2S)-2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 92984994
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
CID 11176211

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine?
The IUPAC name of (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine (CID 99979793) is (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine.
What is the SMILES notation for (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine?
The canonical SMILES for (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine is Brc1ccccc1OC[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine?
The InChIKey is WXYOIHOZQKLMKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20BrNO2/c19-17-8-4-5-9-18(17)22-14-16-13-20(10-11-21-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2/t16-/m1/s1.
What are the key properties of (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine?
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine has a molecular weight of 362.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine is sourced from PubChem (CID 99979793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).