1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine

C15H23ClN2O3 — CID 104664509

IUPAC1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C15H23ClN2O3/c1-17-11-12-9-13(16)10-14(19-2)15(12)21-8-5-18-3-6-20-7-4-18/h9-10,17H,3-8,11H2,1-2H3
InChIKeyDAVQRGREOZUEPT-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.78
Rot. Bonds7

About 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine

1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine (PubChem CID 104664509) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
PubChem CID104664509
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C15H23ClN2O3/c1-17-11-12-9-13(16)10-14(19-2)15(12)21-8-5-18-3-6-20-7-4-18/h9-10,17H,3-8,11H2,1-2H3
InChIKeyDAVQRGREOZUEPT-UHFFFAOYSA-N
XLogP1.78
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 17159763
1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664553
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
1-(2-but-3-en-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664390
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664560

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine (CID 104664509) is 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(OC)c1OCCN1CCOCC1.
What is the InChIKey of 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is DAVQRGREOZUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-17-11-12-9-13(16)10-14(19-2)15(12)21-8-5-18-3-6-20-7-4-18/h9-10,17H,3-8,11H2,1-2H3.
What are the key properties of 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 314.81 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 104664509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).