(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine

C14H23NO2 — CID 113389069

IUPAC(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
SMILESCOc1cccc(OCCC(C)C)c1[C@@H](C)N
InChIInChI=1S/C14H23NO2/c1-10(2)8-9-17-13-7-5-6-12(16-4)14(13)11(3)15/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m1/s1
InChIKeyDCHBWSWNJOWCJC-LLVKDONJSA-N
MW237.34 g/mol
LogP3.14
Rot. Bonds6

About (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine

(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine (PubChem CID 113389069) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
PubChem CID113389069
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
SMILESCOc1cccc(OCCC(C)C)c1[C@@H](C)N
InChIInChI=1S/C14H23NO2/c1-10(2)8-9-17-13-7-5-6-12(16-4)14(13)11(3)15/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m1/s1
InChIKeyDCHBWSWNJOWCJC-LLVKDONJSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550
(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 106665907
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171267104
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine
CID 168529237
3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine (CID 113389069) is (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine is COc1cccc(OCCC(C)C)c1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine?
The InChIKey is DCHBWSWNJOWCJC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)8-9-17-13-7-5-6-12(16-4)14(13)11(3)15/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine?
(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 113389069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).