1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine

C14H23NO — CID 117052163

IUPAC1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
SMILESCC(N)c1cccc(OC(C)C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(15)12-7-6-8-13(9-12)16-11(2)14(3,4)5/h6-11H,15H2,1-5H3
InChIKeyHLQFQXFIIPUZET-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds3

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

1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine (PubChem CID 117052163) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
PubChem CID117052163
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
SMILESCC(N)c1cccc(OC(C)C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(15)12-7-6-8-13(9-12)16-11(2)14(3,4)5/h6-11H,15H2,1-5H3
InChIKeyHLQFQXFIIPUZET-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
3-[3-(1-aminoethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79628999
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116724260
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine (CID 117052163) is 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine is CC(N)c1cccc(OC(C)C(C)(C)C)c1.
What is the InChIKey of 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine?
The InChIKey is HLQFQXFIIPUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(15)12-7-6-8-13(9-12)16-11(2)14(3,4)5/h6-11H,15H2,1-5H3.
What are the key properties of 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine?
1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 117052163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).