(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine

C16H22BrNO2 — CID 11573663

IUPAC(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
SMILESBrc1cc(C[C@@H]2CNCCO2)ccc1OC1CCCC1
InChIInChI=1S/C16H22BrNO2/c17-15-10-12(9-14-11-18-7-8-19-14)5-6-16(15)20-13-3-1-2-4-13/h5-6,10,13-14,18H,1-4,7-9,11H2/t14-/m1/s1
InChIKeyUVZZGUZHRMEILG-CQSZACIVSA-N
MW340.26 g/mol
LogP3.30
Rot. Bonds4

About (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine

(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine (PubChem CID 11573663) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
PubChem CID11573663
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
SMILESBrc1cc(C[C@@H]2CNCCO2)ccc1OC1CCCC1
InChIInChI=1S/C16H22BrNO2/c17-15-10-12(9-14-11-18-7-8-19-14)5-6-16(15)20-13-3-1-2-4-13/h5-6,10,13-14,18H,1-4,7-9,11H2/t14-/m1/s1
InChIKeyUVZZGUZHRMEILG-CQSZACIVSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
2-[(3-bromo-1H-indol-5-yl)methyl]morpholine
CID 162392059
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
CID 67073483
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine?
The IUPAC name of (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine (CID 11573663) is (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine?
The canonical SMILES for (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine is Brc1cc(C[C@@H]2CNCCO2)ccc1OC1CCCC1.
What is the InChIKey of (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine?
The InChIKey is UVZZGUZHRMEILG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22BrNO2/c17-15-10-12(9-14-11-18-7-8-19-14)5-6-16(15)20-13-3-1-2-4-13/h5-6,10,13-14,18H,1-4,7-9,11H2/t14-/m1/s1.
What are the key properties of (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine?
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine has a molecular weight of 340.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine is sourced from PubChem (CID 11573663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).