N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine

C13H20ClNO3 — CID 114320091

IUPACN-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cccc1OCCOC
InChIInChI=1S/C13H20ClNO3/c1-16-7-6-15-10-11-12(14)4-3-5-13(11)18-9-8-17-2/h3-5,15H,6-10H2,1-2H3
InChIKeyJMJFMMGPRXMDST-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.10
Rot. Bonds9

About N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine

N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 114320091) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID114320091
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC NameN-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cccc1OCCOC
InChIInChI=1S/C13H20ClNO3/c1-16-7-6-15-10-11-12(14)4-3-5-13(11)18-9-8-17-2/h3-5,15H,6-10H2,1-2H3
InChIKeyJMJFMMGPRXMDST-UHFFFAOYSA-N
XLogP2.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203
N-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320108
2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
CID 114320191
N-[[2-chloro-6-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115978986
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320143
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
CID 114319540
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine (CID 114320091) is N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1c(Cl)cccc1OCCOC.
What is the InChIKey of N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is JMJFMMGPRXMDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-16-7-6-15-10-11-12(14)4-3-5-13(11)18-9-8-17-2/h3-5,15H,6-10H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 273.76 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114320091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).