4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol

C11H17NO2 — CID 83907829

IUPAC4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCCc1cc2c(o1)CCCC2(O)CN
InChIInChI=1S/C11H17NO2/c1-2-8-6-9-10(14-8)4-3-5-11(9,13)7-12/h6,13H,2-5,7,12H2,1H3
InChIKeyNMTWABNPGZIXPW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.32
Rot. Bonds2

About 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol

4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 83907829) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID83907829
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCCc1cc2c(o1)CCCC2(O)CN
InChIInChI=1S/C11H17NO2/c1-2-8-6-9-10(14-8)4-3-5-11(9,13)7-12/h6,13H,2-5,7,12H2,1H3
InChIKeyNMTWABNPGZIXPW-UHFFFAOYSA-N
XLogP1.32
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid
CID 83909523
1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol
CID 82024150
4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 83911187
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
4-(aminomethyl)-2-chloro-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 83910161
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
CID 83913110
(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
CID 112716095
5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol
CID 3662395
(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 93182143
5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol
CID 118598225
1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
CID 112715141
7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol
CID 83905664

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol (CID 83907829) is 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol is CCc1cc2c(o1)CCCC2(O)CN.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is NMTWABNPGZIXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-8-6-9-10(14-8)4-3-5-11(9,13)7-12/h6,13H,2-5,7,12H2,1H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 195.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 83907829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).