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

C14H19NO2 — CID 114986912

IUPAC(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
SMILESCCc1oc2ccccc2c1CN[C@H](C)CO
InChIInChI=1S/C14H19NO2/c1-3-13-12(8-15-10(2)9-16)11-6-4-5-7-14(11)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyADNIVIXLFMFIFM-SNVBAGLBSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds5

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

(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol (PubChem CID 114986912) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
PubChem CID114986912
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
SMILESCCc1oc2ccccc2c1CN[C@H](C)CO
InChIInChI=1S/C14H19NO2/c1-3-13-12(8-15-10(2)9-16)11-6-4-5-7-14(11)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyADNIVIXLFMFIFM-SNVBAGLBSA-N
XLogP2.47
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
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
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
CID 43226091
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
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-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol (CID 114986912) is (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol is CCc1oc2ccccc2c1CN[C@H](C)CO.
What is the InChIKey of (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
The InChIKey is ADNIVIXLFMFIFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-13-12(8-15-10(2)9-16)11-6-4-5-7-14(11)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 114986912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).