4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol

C17H25NO2 — CID 103786449

IUPAC4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
SMILESCc1c(C(C)NC(CCO)C(C)C)oc2ccccc12
InChIInChI=1S/C17H25NO2/c1-11(2)15(9-10-19)18-13(4)17-12(3)14-7-5-6-8-16(14)20-17/h5-8,11,13,15,18-19H,9-10H2,1-4H3
InChIKeyIZLBZHQDPUPEML-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.80
Rot. Bonds6

About 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol

4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol (PubChem CID 103786449) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
PubChem CID103786449
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
SMILESCc1c(C(C)NC(CCO)C(C)C)oc2ccccc12
InChIInChI=1S/C17H25NO2/c1-11(2)15(9-10-19)18-13(4)17-12(3)14-7-5-6-8-16(14)20-17/h5-8,11,13,15,18-19H,9-10H2,1-4H3
InChIKeyIZLBZHQDPUPEML-UHFFFAOYSA-N
XLogP3.80
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine
CID 65047423
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740
N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778106
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]hex-5-yn-3-amine
CID 115723565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol (CID 103786449) is 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol is Cc1c(C(C)NC(CCO)C(C)C)oc2ccccc12.
What is the InChIKey of 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol?
The InChIKey is IZLBZHQDPUPEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)15(9-10-19)18-13(4)17-12(3)14-7-5-6-8-16(14)20-17/h5-8,11,13,15,18-19H,9-10H2,1-4H3.
What are the key properties of 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol?
4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 103786449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).