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

C14H23NO3 — CID 43207184

IUPAC2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-12(9-16)15-10(2)11-6-7-13(17-3)14(8-11)18-4/h6-8,10,12,15-16H,5,9H2,1-4H3
InChIKeyIBWBIJGQLUSRTR-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds7

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

2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol (PubChem CID 43207184) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
PubChem CID43207184
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-12(9-16)15-10(2)11-6-7-13(17-3)14(8-11)18-4/h6-8,10,12,15-16H,5,9H2,1-4H3
InChIKeyIBWBIJGQLUSRTR-UHFFFAOYSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
2-(1-naphthalen-2-ylethylamino)butan-1-ol
CID 43207106
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
CID 43111176
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
3-[1-(3,4-dimethoxyphenyl)ethylamino]butanenitrile
CID 61174710
(2R)-2-[1-(4-bromo-3-methylphenyl)ethylamino]butan-1-ol
CID 103949550

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol (CID 43207184) is 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol?
The InChIKey is IBWBIJGQLUSRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-12(9-16)15-10(2)11-6-7-13(17-3)14(8-11)18-4/h6-8,10,12,15-16H,5,9H2,1-4H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol?
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 43207184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).