N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine

C16H27NO — CID 103460376

IUPACN-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCOc1ccccc1C(C)NCC(C)(C)CC
InChIInChI=1S/C16H27NO/c1-6-16(4,5)12-17-13(3)14-10-8-9-11-15(14)18-7-2/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyRFIZQSLLLCZLSL-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds7

About N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine

N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460376) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
PubChem CID103460376
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCOc1ccccc1C(C)NCC(C)(C)CC
InChIInChI=1S/C16H27NO/c1-6-16(4,5)12-17-13(3)14-10-8-9-11-15(14)18-7-2/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyRFIZQSLLLCZLSL-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917249
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
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ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
N-[1-(2-ethoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 113350530
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
N-[1-(2-ethoxyphenyl)ethyl]-2-methylbut-3-yn-2-amine
CID 63998892
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
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CID 115890665

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine (CID 103460376) is N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine is CCOc1ccccc1C(C)NCC(C)(C)CC.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine?
The InChIKey is RFIZQSLLLCZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(4,5)12-17-13(3)14-10-8-9-11-15(14)18-7-2/h8-11,13,17H,6-7,12H2,1-5H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine?
N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).