1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine

C14H23NO — CID 61481627

IUPAC1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OCCC(C)(C)C
InChIInChI=1S/C14H23NO/c1-11(15)12-7-5-6-8-13(12)16-10-9-14(2,3)4/h5-8,11H,9-10,15H2,1-4H3
InChIKeyZATHEVLZCSLUQW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds4

About 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine

1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine (PubChem CID 61481627) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
PubChem CID61481627
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OCCC(C)(C)C
InChIInChI=1S/C14H23NO/c1-11(15)12-7-5-6-8-13(12)16-10-9-14(2,3)4/h5-8,11H,9-10,15H2,1-4H3
InChIKeyZATHEVLZCSLUQW-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
(1S)-1-[2-(2-tert-butylsulfanylethoxy)phenyl]ethanamine
CID 114271256
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
CID 79355173
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine (CID 61481627) is 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine is CC(N)c1ccccc1OCCC(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine?
The InChIKey is ZATHEVLZCSLUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(15)12-7-5-6-8-13(12)16-10-9-14(2,3)4/h5-8,11H,9-10,15H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine?
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 61481627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).