N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine

C20H27NO — CID 3055351

IUPACN,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
SMILESCN(C)CCCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C20H27NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3
InChIKeyHHCCYWDDMCIWHW-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.19
Rot. Bonds9

About N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine

N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine (PubChem CID 3055351) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
PubChem CID3055351
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
SMILESCN(C)CCCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C20H27NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3
InChIKeyHHCCYWDDMCIWHW-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-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

4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
N,N-diethyl-8-[2-(2-phenylethyl)phenoxy]octan-1-amine
CID 20544982
methyl 4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoate
CID 20544947
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 11197455
3-[4-butoxy-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 139784207
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 139784170
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
2-hydroxybenzoic acid;3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 134285054

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
The IUPAC name of N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine (CID 3055351) is N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine is CN(C)CCCCOc1ccccc1CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
The InChIKey is HHCCYWDDMCIWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 3055351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).