2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine

C13H21NO4 — CID 82353500

IUPAC2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine
SMILESCOc1cc(COC(C)CN)cc(OC)c1OC
InChIInChI=1S/C13H21NO4/c1-9(7-14)18-8-10-5-11(15-2)13(17-4)12(6-10)16-3/h5-6,9H,7-8,14H2,1-4H3
InChIKeyRTVAVSSRVYUFQE-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.58
Rot. Bonds7

About 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine

2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine (PubChem CID 82353500) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine
PubChem CID82353500
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine
SMILESCOc1cc(COC(C)CN)cc(OC)c1OC
InChIInChI=1S/C13H21NO4/c1-9(7-14)18-8-10-5-11(15-2)13(17-4)12(6-10)16-3/h5-6,9H,7-8,14H2,1-4H3
InChIKeyRTVAVSSRVYUFQE-UHFFFAOYSA-N
XLogP1.58
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
3-methyl-2-N-(3,4,5-trimethoxyphenyl)butane-1,2-diamine
CID 115137960
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
CID 82353691
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119766
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355242
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19626867

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine?
The IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine (CID 82353500) is 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine is COc1cc(COC(C)CN)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine?
The InChIKey is RTVAVSSRVYUFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9(7-14)18-8-10-5-11(15-2)13(17-4)12(6-10)16-3/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine?
2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine is sourced from PubChem (CID 82353500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).