N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine

C15H25NO2 — CID 31196232

IUPACN,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
SMILESCCN(CC)CCOCCOc1ccccc1C
InChIInChI=1S/C15H25NO2/c1-4-16(5-2)10-11-17-12-13-18-15-9-7-6-8-14(15)3/h6-9H,4-5,10-13H2,1-3H3
InChIKeyXSOFUYWDVGKTBY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds9

About N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine

N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine (PubChem CID 31196232) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
PubChem CID31196232
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
SMILESCCN(CC)CCOCCOc1ccccc1C
InChIInChI=1S/C15H25NO2/c1-4-16(5-2)10-11-17-12-13-18-15-9-7-6-8-14(15)3/h6-9H,4-5,10-13H2,1-3H3
InChIKeyXSOFUYWDVGKTBY-UHFFFAOYSA-N
XLogP2.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
CID 2176414
ethane;1-methyl-2-pentoxybenzene
CID 143283195
2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
CID 2246319
2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2245338
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2298077
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
1-methyl-2-pentadecoxybenzene
CID 154641785
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine (CID 31196232) is N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine is CCN(CC)CCOCCOc1ccccc1C.
What is the InChIKey of N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine?
The InChIKey is XSOFUYWDVGKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-16(5-2)10-11-17-12-13-18-15-9-7-6-8-14(15)3/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine?
N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine is sourced from PubChem (CID 31196232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).