1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine

C12H19NO3 — CID 79616909

IUPAC1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
SMILESCOc1ccc(C(N)C(C)OC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-8(14-2)12(13)10-6-5-9(15-3)7-11(10)16-4/h5-8,12H,13H2,1-4H3
InChIKeyZPNNYWHKSIRQCM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.74
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine

1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine (PubChem CID 79616909) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
PubChem CID79616909
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
SMILESCOc1ccc(C(N)C(C)OC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-8(14-2)12(13)10-6-5-9(15-3)7-11(10)16-4/h5-8,12H,13H2,1-4H3
InChIKeyZPNNYWHKSIRQCM-UHFFFAOYSA-N
XLogP1.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-amino-1-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 96592127
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724315
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587
1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945878
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine (CID 79616909) is 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine is COc1ccc(C(N)C(C)OC)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine?
The InChIKey is ZPNNYWHKSIRQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(14-2)12(13)10-6-5-9(15-3)7-11(10)16-4/h5-8,12H,13H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine?
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 79616909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).