1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine

C17H30N2O — CID 3079535

IUPAC1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
SMILESCCN(CC)CCOc1ccc(CC(C)N(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-6-19(7-2)12-13-20-17-10-8-16(9-11-17)14-15(3)18(4)5/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeySIRAESQCZIFMCQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.90
Rot. Bonds9

About 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine

1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine (PubChem CID 3079535) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
PubChem CID3079535
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
SMILESCCN(CC)CCOc1ccc(CC(C)N(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-6-19(7-2)12-13-20-17-10-8-16(9-11-17)14-15(3)18(4)5/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeySIRAESQCZIFMCQ-UHFFFAOYSA-N
XLogP2.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
CID 175517595
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
CID 3079543
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111123871
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine (CID 3079535) is 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine is CCN(CC)CCOc1ccc(CC(C)N(C)C)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
The InChIKey is SIRAESQCZIFMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-19(7-2)12-13-20-17-10-8-16(9-11-17)14-15(3)18(4)5/h8-11,15H,6-7,12-14H2,1-5H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 3079535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).