3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol

C16H23NO2 — CID 115644591

IUPAC3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
SMILESCCc1oc2ccccc2c1CNC(C)C(C)CO
InChIInChI=1S/C16H23NO2/c1-4-15-14(9-17-12(3)11(2)10-18)13-7-5-6-8-16(13)19-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyPRBZHDAEKUBKFX-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.10
Rot. Bonds6

About 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol

3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol (PubChem CID 115644591) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
PubChem CID115644591
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
SMILESCCc1oc2ccccc2c1CNC(C)C(C)CO
InChIInChI=1S/C16H23NO2/c1-4-15-14(9-17-12(3)11(2)10-18)13-7-5-6-8-16(13)19-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyPRBZHDAEKUBKFX-UHFFFAOYSA-N
XLogP3.10
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol with MolForge

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Related Compounds

(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
CID 43226091
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
CID 43226132
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 43226121
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223383

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol (CID 115644591) is 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol is CCc1oc2ccccc2c1CNC(C)C(C)CO.
What is the InChIKey of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol?
The InChIKey is PRBZHDAEKUBKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-15-14(9-17-12(3)11(2)10-18)13-7-5-6-8-16(13)19-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3.
What are the key properties of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol?
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 115644591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).