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

C14H23NO3 — CID 64910690

IUPAC4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
SMILESCOc1ccc(C(C)NCCC(C)O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10(16)7-8-15-11(2)13-6-5-12(17-3)9-14(13)18-4/h5-6,9-11,15-16H,7-8H2,1-4H3
InChIKeyCLNILZGTSCGENM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds7

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

4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol (PubChem CID 64910690) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
PubChem CID64910690
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
SMILESCOc1ccc(C(C)NCCC(C)O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10(16)7-8-15-11(2)13-6-5-12(17-3)9-14(13)18-4/h5-6,9-11,15-16H,7-8H2,1-4H3
InChIKeyCLNILZGTSCGENM-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

3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol (CID 64910690) is 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol is COc1ccc(C(C)NCCC(C)O)c(OC)c1.
What is the InChIKey of 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol?
The InChIKey is CLNILZGTSCGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(16)7-8-15-11(2)13-6-5-12(17-3)9-14(13)18-4/h5-6,9-11,15-16H,7-8H2,1-4H3.
What are the key properties of 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol?
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-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 4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 64910690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).