1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine

C14H23NO3 — CID 105044751

IUPAC1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO3/c1-10(7-8-16-2)14(15)12-9-11(17-3)5-6-13(12)18-4/h5-6,9-10,14H,7-8,15H2,1-4H3
InChIKeyGMIPXVJGKDSLMG-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.38
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine

1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044751) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
PubChem CID105044751
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO3/c1-10(7-8-16-2)14(15)12-9-11(17-3)5-6-13(12)18-4/h5-6,9-10,14H,7-8,15H2,1-4H3
InChIKeyGMIPXVJGKDSLMG-UHFFFAOYSA-N
XLogP2.38
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044773
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(5-bromo-2-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934007
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044354

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine (CID 105044751) is 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine is COCCC(C)C(N)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The InChIKey is GMIPXVJGKDSLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(7-8-16-2)14(15)12-9-11(17-3)5-6-13(12)18-4/h5-6,9-10,14H,7-8,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).