1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol

C16H27NO3 — CID 82315715

IUPAC1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)C(O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H27NO3/c1-5-10-17-12(4)16(18)13-8-9-14(19-6-2)15(11-13)20-7-3/h8-9,11-12,16-18H,5-7,10H2,1-4H3
InChIKeyUNZRLEMRYSMQRR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds9

About 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol

1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol (PubChem CID 82315715) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
PubChem CID82315715
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)C(O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H27NO3/c1-5-10-17-12(4)16(18)13-8-9-14(19-6-2)15(11-13)20-7-3/h8-9,11-12,16-18H,5-7,10H2,1-4H3
InChIKeyUNZRLEMRYSMQRR-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
CID 64718995
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79095490
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
1-(3,4-diethoxyphenyl)-N-propylbut-3-en-1-amine
CID 116660997
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
1-(3,4-dimethoxyphenyl)-2-(2-fluoroethylamino)propan-1-ol
CID 155431279
1-(3,4-diethoxyphenyl)-N-propylpent-3-yn-1-amine
CID 115819147

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol (CID 82315715) is 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol is CCCNC(C)C(O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol?
The InChIKey is UNZRLEMRYSMQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-10-17-12(4)16(18)13-8-9-14(19-6-2)15(11-13)20-7-3/h8-9,11-12,16-18H,5-7,10H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol?
1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 82315715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).