1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine

C13H21NO3 — CID 79197544

IUPAC1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(C(N)C(C)(C)OC)c1
InChIInChI=1S/C13H21NO3/c1-13(2,17-5)12(14)10-8-9(15-3)6-7-11(10)16-4/h6-8,12H,14H2,1-5H3
InChIKeyQDFZJCRUHLNQHZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.13
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine

1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine (PubChem CID 79197544) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
PubChem CID79197544
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(C(N)C(C)(C)OC)c1
InChIInChI=1S/C13H21NO3/c1-13(2,17-5)12(14)10-8-9(15-3)6-7-11(10)16-4/h6-8,12H,14H2,1-5H3
InChIKeyQDFZJCRUHLNQHZ-UHFFFAOYSA-N
XLogP2.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(2,5-dimethoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940352
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine
CID 116759700
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162385
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 82807508
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105145782

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine (CID 79197544) is 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine is COc1ccc(OC)c(C(N)C(C)(C)OC)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine?
The InChIKey is QDFZJCRUHLNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,17-5)12(14)10-8-9(15-3)6-7-11(10)16-4/h6-8,12H,14H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine?
1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 79197544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).