3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol

C18H27NO2 — CID 106349047

IUPAC3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCc1oc2ccccc2c1CNC(CCO)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-5-15-14(13-8-6-7-9-16(13)21-15)12-19-17(10-11-20)18(2,3)4/h6-9,17,19-20H,5,10-12H2,1-4H3
InChIKeyVUXNZUILNAOJBW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.88
Rot. Bonds6

About 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol

3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106349047) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID106349047
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCc1oc2ccccc2c1CNC(CCO)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-5-15-14(13-8-6-7-9-16(13)21-15)12-19-17(10-11-20)18(2,3)4/h6-9,17,19-20H,5,10-12H2,1-4H3
InChIKeyVUXNZUILNAOJBW-UHFFFAOYSA-N
XLogP3.88
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
(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]-2-methylbutan-1-ol
CID 115644591
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
CID 43226091
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 43226121
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
CID 43226132
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol (CID 106349047) is 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol is CCc1oc2ccccc2c1CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is VUXNZUILNAOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-15-14(13-8-6-7-9-16(13)21-15)12-19-17(10-11-20)18(2,3)4/h6-9,17,19-20H,5,10-12H2,1-4H3.
What are the key properties of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.88, 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]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106349047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).