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

C16H27NO3 — CID 103716987

IUPAC1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-6-9-16(3,18)11-17-12(2)13-7-8-14(19-4)15(10-13)20-5/h7-8,10,12,17-18H,6,9,11H2,1-5H3
InChIKeySSROBGAPRJYWLV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds8

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

1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol (PubChem CID 103716987) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
PubChem CID103716987
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-6-9-16(3,18)11-17-12(2)13-7-8-14(19-4)15(10-13)20-5/h7-8,10,12,17-18H,6,9,11H2,1-5H3
InChIKeySSROBGAPRJYWLV-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179353
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
methyl 3-[1-(3,4-dimethoxyphenyl)ethylamino]-2,2-dimethylpropanoate
CID 79621340
4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol
CID 66179916
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-methylpentan-2-ol
CID 103783371
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol (CID 103716987) is 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol?
The InChIKey is SSROBGAPRJYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-9-16(3,18)11-17-12(2)13-7-8-14(19-4)15(10-13)20-5/h7-8,10,12,17-18H,6,9,11H2,1-5H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol?
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 103716987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).