N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine

C16H27NO — CID 123572805

IUPACN-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine
SMILESCCc1ccccc1OCCN(CC)C(C)CC
InChIInChI=1S/C16H27NO/c1-5-14(4)17(7-3)12-13-18-16-11-9-8-10-15(16)6-2/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyWOHPRMRVZXTWKD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.75
Rot. Bonds8

About N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine

N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine (PubChem CID 123572805) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine
PubChem CID123572805
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine
SMILESCCc1ccccc1OCCN(CC)C(C)CC
InChIInChI=1S/C16H27NO/c1-5-14(4)17(7-3)12-13-18-16-11-9-8-10-15(16)6-2/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyWOHPRMRVZXTWKD-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
2-[3-[butan-2-yl(ethyl)amino]propoxy]benzenecarbothioamide
CID 43290732
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol
CID 46986793
N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
CID 78853919
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
1-ethyl-2-heptoxybenzene
CID 22723794
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
1-butan-2-yloxy-2-ethylbenzene
CID 64763289

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine (CID 123572805) is N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine is CCc1ccccc1OCCN(CC)C(C)CC.
What is the InChIKey of N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine?
The InChIKey is WOHPRMRVZXTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-14(4)17(7-3)12-13-18-16-11-9-8-10-15(16)6-2/h8-11,14H,5-7,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine?
N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 123572805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).