1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol

C14H23NO4 — CID 63928817

IUPAC1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(15-8-12(16)9-17-2)11-5-6-13(18-3)14(7-11)19-4/h5-7,10,12,15-16H,8-9H2,1-4H3
InChIKeyCOQNOQJZBIBIBM-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.36
Rot. Bonds8

About 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol

1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol (PubChem CID 63928817) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
PubChem CID63928817
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(15-8-12(16)9-17-2)11-5-6-13(18-3)14(7-11)19-4/h5-7,10,12,15-16H,8-9H2,1-4H3
InChIKeyCOQNOQJZBIBIBM-UHFFFAOYSA-N
XLogP1.36
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61172596
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102977990
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
N'-[1-(3,4-dimethoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441990
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 62331698
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol (CID 63928817) is 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol is COCC(O)CNC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol?
The InChIKey is COQNOQJZBIBIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(15-8-12(16)9-17-2)11-5-6-13(18-3)14(7-11)19-4/h5-7,10,12,15-16H,8-9H2,1-4H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol?
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63928817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).