1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine

C14H23NO — CID 43211628

IUPAC1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
SMILESCCc1cccc(OCC(N)C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-11-7-6-8-12(9-11)16-10-13(15)14(2,3)4/h6-9,13H,5,10,15H2,1-4H3
InChIKeyRKCGPSSJZNDVSW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds4

About 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine

1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine (PubChem CID 43211628) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
PubChem CID43211628
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
SMILESCCc1cccc(OCC(N)C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-11-7-6-8-12(9-11)16-10-13(15)14(2,3)4/h6-9,13H,5,10,15H2,1-4H3
InChIKeyRKCGPSSJZNDVSW-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
CID 43351797
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790
1-(2-aminophenyl)-2-(3-ethylphenoxy)ethanol
CID 62267926
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine (CID 43211628) is 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine is CCc1cccc(OCC(N)C(C)(C)C)c1.
What is the InChIKey of 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine?
The InChIKey is RKCGPSSJZNDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11-7-6-8-12(9-11)16-10-13(15)14(2,3)4/h6-9,13H,5,10,15H2,1-4H3.
What are the key properties of 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine?
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 43211628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).