2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine

C13H18ClNO2 — CID 116868512

IUPAC2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine
SMILESCOc1ccc(CCC2CNCCO2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-16-11-4-2-10(13(14)8-11)3-5-12-9-15-6-7-17-12/h2,4,8,12,15H,3,5-7,9H2,1H3
InChIKeyKLPKVKMVFHZTQR-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine

2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine (PubChem CID 116868512) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine
PubChem CID116868512
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine
SMILESCOc1ccc(CCC2CNCCO2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-16-11-4-2-10(13(14)8-11)3-5-12-9-15-6-7-17-12/h2,4,8,12,15H,3,5-7,9H2,1H3
InChIKeyKLPKVKMVFHZTQR-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
CID 79512215
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
CID 168862216
N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209649
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine?
The IUPAC name of 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine (CID 116868512) is 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine?
The canonical SMILES for 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine is COc1ccc(CCC2CNCCO2)c(Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine?
The InChIKey is KLPKVKMVFHZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-11-4-2-10(13(14)8-11)3-5-12-9-15-6-7-17-12/h2,4,8,12,15H,3,5-7,9H2,1H3.
What are the key properties of 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine?
2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine has a molecular weight of 255.74 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine is sourced from PubChem (CID 116868512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).