N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine

C13H20ClNO2 — CID 114320190

IUPACN-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCOc1cccc(Cl)c1CNCCOC
InChIInChI=1S/C13H20ClNO2/c1-3-8-17-13-6-4-5-12(14)11(13)10-15-7-9-16-2/h4-6,15H,3,7-10H2,1-2H3
InChIKeyLQZITTPMFYDVJT-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.86
Rot. Bonds8

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

N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 114320190) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID114320190
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCOc1cccc(Cl)c1CNCCOC
InChIInChI=1S/C13H20ClNO2/c1-3-8-17-13-6-4-5-12(14)11(13)10-15-7-9-16-2/h4-6,15H,3,7-10H2,1-2H3
InChIKeyLQZITTPMFYDVJT-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
CID 114320191
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
N-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320108
2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
CID 114319540
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
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320143
N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806578

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine (CID 114320190) is N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine is CCCOc1cccc(Cl)c1CNCCOC.
What is the InChIKey of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is LQZITTPMFYDVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-8-17-13-6-4-5-12(14)11(13)10-15-7-9-16-2/h4-6,15H,3,7-10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine?
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 257.76 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 114320190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).