1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine

C12H18ClNO2 — CID 65369845

IUPAC1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
SMILESCCOCOc1ccc(Cl)cc1C(C)NC
InChIInChI=1S/C12H18ClNO2/c1-4-15-8-16-12-6-5-10(13)7-11(12)9(2)14-3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyLDZAQUMDOFGZTG-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.99
Rot. Bonds6

About 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine

1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine (PubChem CID 65369845) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
PubChem CID65369845
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
SMILESCCOCOc1ccc(Cl)cc1C(C)NC
InChIInChI=1S/C12H18ClNO2/c1-4-15-8-16-12-6-5-10(13)7-11(12)9(2)14-3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyLDZAQUMDOFGZTG-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
CID 103177693
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]-N-methylethanamine
CID 114471551
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 62074581
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine (CID 65369845) is 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine is CCOCOc1ccc(Cl)cc1C(C)NC.
What is the InChIKey of 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine?
The InChIKey is LDZAQUMDOFGZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-4-15-8-16-12-6-5-10(13)7-11(12)9(2)14-3/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine?
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine has a molecular weight of 243.73 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 65369845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).