3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol

C14H17Cl2NO — CID 166342495

IUPAC3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol
SMILESCN(C1CC(O)C1)C1CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2NO/c1-17(9-6-10(18)7-9)14-3-2-11-12(14)4-8(15)5-13(11)16/h4-5,9-10,14,18H,2-3,6-7H2,1H3
InChIKeyZBZXUYCBYMVLQY-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.44
Rot. Bonds2

About 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol

3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol (PubChem CID 166342495) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol
PubChem CID166342495
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol
SMILESCN(C1CC(O)C1)C1CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2NO/c1-17(9-6-10(18)7-9)14-3-2-11-12(14)4-8(15)5-13(11)16/h4-5,9-10,14,18H,2-3,6-7H2,1H3
InChIKeyZBZXUYCBYMVLQY-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol (CID 166342495) is 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol is CN(C1CC(O)C1)C1CCc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol?
The InChIKey is ZBZXUYCBYMVLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-17(9-6-10(18)7-9)14-3-2-11-12(14)4-8(15)5-13(11)16/h4-5,9-10,14,18H,2-3,6-7H2,1H3.
What are the key properties of 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol?
3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol has a molecular weight of 286.20 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol is sourced from PubChem (CID 166342495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).