N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine

C12H19NO2 — CID 65365407

IUPACN-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(OCOC)c1
InChIInChI=1S/C12H19NO2/c1-4-13-10(2)11-6-5-7-12(8-11)15-9-14-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeySJONJCNOPFSRQI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine

N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine (PubChem CID 65365407) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
PubChem CID65365407
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(OCOC)c1
InChIInChI=1S/C12H19NO2/c1-4-13-10(2)11-6-5-7-12(8-11)15-9-14-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeySJONJCNOPFSRQI-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.34
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

(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 63931889
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340346
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine
CID 100557587
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-ethyl-1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 60887616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine (CID 65365407) is N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine is CCNC(C)c1cccc(OCOC)c1.
What is the InChIKey of N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine?
The InChIKey is SJONJCNOPFSRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-13-10(2)11-6-5-7-12(8-11)15-9-14-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine?
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine is sourced from PubChem (CID 65365407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).