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

C15H25NO3 — CID 106665907

IUPAC(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
SMILESCOc1cccc(OCCC(C)(C)OC)c1[C@H](C)N
InChIInChI=1S/C15H25NO3/c1-11(16)14-12(17-4)7-6-8-13(14)19-10-9-15(2,3)18-5/h6-8,11H,9-10,16H2,1-5H3/t11-/m0/s1
InChIKeyONOQBUGRZCJJQY-NSHDSACASA-N
MW267.37 g/mol
LogP2.91
Rot. Bonds7

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

(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine (PubChem CID 106665907) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
PubChem CID106665907
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
SMILESCOc1cccc(OCCC(C)(C)OC)c1[C@H](C)N
InChIInChI=1S/C15H25NO3/c1-11(16)14-12(17-4)7-6-8-13(14)19-10-9-15(2,3)18-5/h6-8,11H,9-10,16H2,1-5H3/t11-/m0/s1
InChIKeyONOQBUGRZCJJQY-NSHDSACASA-N
XLogP2.91
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
CID 113389069
(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550
(1S)-1-[5-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 103032866
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
CID 102975066
[3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 103034160
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
4-(bromomethyl)-2-methoxy-1-(3-methoxy-3-methylbutoxy)benzene
CID 103034286

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine (CID 106665907) is (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine is COc1cccc(OCCC(C)(C)OC)c1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine?
The InChIKey is ONOQBUGRZCJJQY-NSHDSACASA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(16)14-12(17-4)7-6-8-13(14)19-10-9-15(2,3)18-5/h6-8,11H,9-10,16H2,1-5H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine?
(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 106665907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).