N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine

C16H27NO — CID 2263014

IUPACN,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
SMILESCCN(CC)CCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO/c1-5-17(6-2)12-9-13-18-16-11-8-7-10-15(16)14(3)4/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3
InChIKeyHPUPCSICBWPVBG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.92
Rot. Bonds8

About N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine

N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine (PubChem CID 2263014) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
PubChem CID2263014
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
SMILESCCN(CC)CCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO/c1-5-17(6-2)12-9-13-18-16-11-8-7-10-15(16)14(3)4/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3
InChIKeyHPUPCSICBWPVBG-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.92
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

4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
1-octoxy-2-propan-2-ylbenzene
CID 64765685
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4966118
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
CID 106732629
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine (CID 2263014) is N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine is CCN(CC)CCCOc1ccccc1C(C)C.
What is the InChIKey of N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine?
The InChIKey is HPUPCSICBWPVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17(6-2)12-9-13-18-16-11-8-7-10-15(16)14(3)4/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3.
What are the key properties of N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine?
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine is sourced from PubChem (CID 2263014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).