N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine

C11H16ClNO2 — CID 114318997

IUPACN-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCOC
InChIInChI=1S/C11H16ClNO2/c1-3-13-7-9-10(12)5-4-6-11(9)15-8-14-2/h4-6,13H,3,7-8H2,1-2H3
InChIKeyNGYCCRFAGKOHDC-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.43
Rot. Bonds6

About N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine (PubChem CID 114318997) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
PubChem CID114318997
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCOC
InChIInChI=1S/C11H16ClNO2/c1-3-13-7-9-10(12)5-4-6-11(9)15-8-14-2/h4-6,13H,3,7-8H2,1-2H3
InChIKeyNGYCCRFAGKOHDC-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319956
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 114318919
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984
3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 114318944
N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine (CID 114318997) is N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OCOC.
What is the InChIKey of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine?
The InChIKey is NGYCCRFAGKOHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-13-7-9-10(12)5-4-6-11(9)15-8-14-2/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114318997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).