4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol

C15H26N2O — CID 113499650

IUPAC4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
SMILESCCNC(C)c1ccccc1N(C)CCC(C)O
InChIInChI=1S/C15H26N2O/c1-5-16-13(3)14-8-6-7-9-15(14)17(4)11-10-12(2)18/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyRYNVMFKJJCWQJV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.56
Rot. Bonds7

About 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol

4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol (PubChem CID 113499650) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
PubChem CID113499650
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
SMILESCCNC(C)c1ccccc1N(C)CCC(C)O
InChIInChI=1S/C15H26N2O/c1-5-16-13(3)14-8-6-7-9-15(14)17(4)11-10-12(2)18/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyRYNVMFKJJCWQJV-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 105415203
N-(2-ethoxyethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 81055457
2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275924
2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528292
N-ethyl-2-[1-(ethylamino)ethyl]-N-phenylaniline
CID 43284278
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline
CID 63533282
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43569244
3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
CID 43284304

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol?
The IUPAC name of 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol (CID 113499650) is 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol.
What is the SMILES notation for 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol?
The canonical SMILES for 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol is CCNC(C)c1ccccc1N(C)CCC(C)O.
What is the InChIKey of 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol?
The InChIKey is RYNVMFKJJCWQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-16-13(3)14-8-6-7-9-15(14)17(4)11-10-12(2)18/h6-9,12-13,16,18H,5,10-11H2,1-4H3.
What are the key properties of 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol?
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol is sourced from PubChem (CID 113499650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).