1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine

C12H19NO3 — CID 62801010

IUPAC1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C12H19NO3/c1-14-7-6-11(13)10-8-9(15-2)4-5-12(10)16-3/h4-5,8,11H,6-7,13H2,1-3H3
InChIKeyCRBABQKZFDYUFD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.74
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine

1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine (PubChem CID 62801010) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
PubChem CID62801010
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C12H19NO3/c1-14-7-6-11(13)10-8-9(15-2)4-5-12(10)16-3/h4-5,8,11H,6-7,13H2,1-3H3
InChIKeyCRBABQKZFDYUFD-UHFFFAOYSA-N
XLogP1.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044751
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine
CID 64647107
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine (CID 62801010) is 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine is COCCC(N)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine?
The InChIKey is CRBABQKZFDYUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-14-7-6-11(13)10-8-9(15-2)4-5-12(10)16-3/h4-5,8,11H,6-7,13H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine?
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62801010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).