3-(5-deuteriopentoxy)-N,N-diethylaniline

C15H25NO — CID 163281862

IUPAC3-(5-deuteriopentoxy)-N,N-diethylaniline
SMILES[2H]CCCCCOc1cccc(N(CC)CC)c1
InChIInChI=1S/C15H25NO/c1-4-7-8-12-17-15-11-9-10-14(13-15)16(5-2)6-3/h9-11,13H,4-8,12H2,1-3H3/i1D
InChIKeySKNGWALGKBQFEE-MICDWDOJSA-N
MW236.38 g/mol
LogP4.10
Rot. Bonds9

About 3-(5-deuteriopentoxy)-N,N-diethylaniline

3-(5-deuteriopentoxy)-N,N-diethylaniline (PubChem CID 163281862) has the molecular formula C15H25NO and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-(5-deuteriopentoxy)-N,N-diethylaniline.

Molecular Properties

Compound Name3-(5-deuteriopentoxy)-N,N-diethylaniline
PubChem CID163281862
Molecular FormulaC15H25NO
Molecular Weight236.38 g/mol
Exact Mass236.20
IUPAC Name3-(5-deuteriopentoxy)-N,N-diethylaniline
SMILES[2H]CCCCCOc1cccc(N(CC)CC)c1
InChIInChI=1S/C15H25NO/c1-4-7-8-12-17-15-11-9-10-14(13-15)16(5-2)6-3/h9-11,13H,4-8,12H2,1-3H3/i1D
InChIKeySKNGWALGKBQFEE-MICDWDOJSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline
CID 63515922
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
1,3-dihexadecoxybenzene
CID 12686834
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
1-[3-(diethylamino)phenoxy]propan-2-ol
CID 22760892
N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
CID 62582853
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016
N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
CID 62583401
azane;1-ethoxy-3-pentoxybenzene
CID 68858003

Frequently Asked Questions

What is the IUPAC name of 3-(5-deuteriopentoxy)-N,N-diethylaniline?
The IUPAC name of 3-(5-deuteriopentoxy)-N,N-diethylaniline (CID 163281862) is 3-(5-deuteriopentoxy)-N,N-diethylaniline.
What is the SMILES notation for 3-(5-deuteriopentoxy)-N,N-diethylaniline?
The canonical SMILES for 3-(5-deuteriopentoxy)-N,N-diethylaniline is [2H]CCCCCOc1cccc(N(CC)CC)c1.
What is the InChIKey of 3-(5-deuteriopentoxy)-N,N-diethylaniline?
The InChIKey is SKNGWALGKBQFEE-MICDWDOJSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-7-8-12-17-15-11-9-10-14(13-15)16(5-2)6-3/h9-11,13H,4-8,12H2,1-3H3/i1D.
What are the key properties of 3-(5-deuteriopentoxy)-N,N-diethylaniline?
3-(5-deuteriopentoxy)-N,N-diethylaniline has a molecular weight of 236.38 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-deuteriopentoxy)-N,N-diethylaniline is sourced from PubChem (CID 163281862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).