6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol

C12H14ClNO2 — CID 83898617

IUPAC6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol
SMILESCC(CN)Cc1cc2oc(Cl)cc2cc1O
InChIInChI=1S/C12H14ClNO2/c1-7(6-14)2-8-4-11-9(3-10(8)15)5-12(13)16-11/h3-5,7,15H,2,6,14H2,1H3
InChIKeyMZHKKKFNJQCBCG-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.93
Rot. Bonds3

About 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol

6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol (PubChem CID 83898617) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol
PubChem CID83898617
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol
SMILESCC(CN)Cc1cc2oc(Cl)cc2cc1O
InChIInChI=1S/C12H14ClNO2/c1-7(6-14)2-8-4-11-9(3-10(8)15)5-12(13)16-11/h3-5,7,15H,2,6,14H2,1H3
InChIKeyMZHKKKFNJQCBCG-UHFFFAOYSA-N
XLogP2.93
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol
CID 83903801
3-(5-chloro-1,3-benzoxazol-6-yl)-2-methylpropan-1-amine
CID 83892035
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81434041
6-(2-aminopropyl)-5-hydroxy-1,3-benzoxathiol-2-one
CID 117323230
2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 83902804
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol?
The IUPAC name of 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol (CID 83898617) is 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol.
What is the SMILES notation for 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol?
The canonical SMILES for 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol is CC(CN)Cc1cc2oc(Cl)cc2cc1O.
What is the InChIKey of 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol?
The InChIKey is MZHKKKFNJQCBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7(6-14)2-8-4-11-9(3-10(8)15)5-12(13)16-11/h3-5,7,15H,2,6,14H2,1H3.
What are the key properties of 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol?
6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol has a molecular weight of 239.70 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol is sourced from PubChem (CID 83898617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).