(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine

C14H20ClNO2 — CID 11507301

IUPAC(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
SMILESCCCOc1ccc(C[C@@H]2CNCCO2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-2-6-18-14-4-3-11(9-13(14)15)8-12-10-16-5-7-17-12/h3-4,9,12,16H,2,5-8,10H2,1H3/t12-/m1/s1
InChIKeyWSWLGNJRJZFIFM-GFCCVEGCSA-N
MW269.77 g/mol
LogP2.66
Rot. Bonds5

About (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine

(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine (PubChem CID 11507301) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
PubChem CID11507301
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
SMILESCCCOc1ccc(C[C@@H]2CNCCO2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-2-6-18-14-4-3-11(9-13(14)15)8-12-10-16-5-7-17-12/h3-4,9,12,16H,2,5-8,10H2,1H3/t12-/m1/s1
InChIKeyWSWLGNJRJZFIFM-GFCCVEGCSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine
CID 11708951
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
CID 67073483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine?
The IUPAC name of (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine (CID 11507301) is (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine?
The canonical SMILES for (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine is CCCOc1ccc(C[C@@H]2CNCCO2)cc1Cl.
What is the InChIKey of (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine?
The InChIKey is WSWLGNJRJZFIFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-6-18-14-4-3-11(9-13(14)15)8-12-10-16-5-7-17-12/h3-4,9,12,16H,2,5-8,10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine?
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine has a molecular weight of 269.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine is sourced from PubChem (CID 11507301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).