(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine

C14H23NO2 — CID 82000674

IUPAC(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO2/c1-5-10(2)9-17-14-8-12(16-4)6-7-13(14)11(3)15/h6-8,10-11H,5,9,15H2,1-4H3/t10?,11-/m1/s1
InChIKeyGCBAIBKGXXNARR-RRKGBCIJSA-N
MW237.34 g/mol
LogP3.14
Rot. Bonds6

About (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine

(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine (PubChem CID 82000674) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
PubChem CID82000674
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO2/c1-5-10(2)9-17-14-8-12(16-4)6-7-13(14)11(3)15/h6-8,10-11H,5,9,15H2,1-4H3/t10?,11-/m1/s1
InChIKeyGCBAIBKGXXNARR-RRKGBCIJSA-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

1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722435
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine (CID 82000674) is (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine is CCC(C)COc1cc(OC)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine?
The InChIKey is GCBAIBKGXXNARR-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-10(2)9-17-14-8-12(16-4)6-7-13(14)11(3)15/h6-8,10-11H,5,9,15H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine?
(1R)-1-[4-methoxy-2-(2-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-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 82000674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).