2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol

C16H23NO2 — CID 114735149

IUPAC2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCc1ccc2oc(C(C)(O)CCNC(C)C)cc2c1
InChIInChI=1S/C16H23NO2/c1-11(2)17-8-7-16(4,18)15-10-13-9-12(3)5-6-14(13)19-15/h5-6,9-11,17-18H,7-8H2,1-4H3
InChIKeyBGWIOQYEKNNLFC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.34
Rot. Bonds5

About 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol

2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 114735149) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID114735149
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCc1ccc2oc(C(C)(O)CCNC(C)C)cc2c1
InChIInChI=1S/C16H23NO2/c1-11(2)17-8-7-16(4,18)15-10-13-9-12(3)5-6-14(13)19-15/h5-6,9-11,17-18H,7-8H2,1-4H3
InChIKeyBGWIOQYEKNNLFC-UHFFFAOYSA-N
XLogP3.34
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-1-benzofuran-2-yl)propan-2-ol
CID 117122380
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
CID 114733537
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
CID 114733018
2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
CID 114724818
N'-(5-methyl-1-benzofuran-2-yl)propane-1,3-diamine
CID 114732599
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
CID 114724921
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
CID 101417419

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol (CID 114735149) is 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol is Cc1ccc2oc(C(C)(O)CCNC(C)C)cc2c1.
What is the InChIKey of 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is BGWIOQYEKNNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)17-8-7-16(4,18)15-10-13-9-12(3)5-6-14(13)19-15/h5-6,9-11,17-18H,7-8H2,1-4H3.
What are the key properties of 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol?
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 114735149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).