4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol

C15H20BrNO — CID 114265418

IUPAC4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCc3ccc(Br)cc32)CC1
InChIInChI=1S/C15H20BrNO/c16-11-3-1-10-2-8-15(14(10)9-11)17-12-4-6-13(18)7-5-12/h1,3,9,12-13,15,17-18H,2,4-8H2
InChIKeyWAJKVQGQTHKESC-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.33
Rot. Bonds2

About 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol

4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol (PubChem CID 114265418) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol
PubChem CID114265418
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCc3ccc(Br)cc32)CC1
InChIInChI=1S/C15H20BrNO/c16-11-3-1-10-2-8-15(14(10)9-11)17-12-4-6-13(18)7-5-12/h1,3,9,12-13,15,17-18H,2,4-8H2
InChIKeyWAJKVQGQTHKESC-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol (CID 114265418) is 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol is OC1CCC(NC2CCc3ccc(Br)cc32)CC1.
What is the InChIKey of 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol?
The InChIKey is WAJKVQGQTHKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-11-3-1-10-2-8-15(14(10)9-11)17-12-4-6-13(18)7-5-12/h1,3,9,12-13,15,17-18H,2,4-8H2.
What are the key properties of 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol?
4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol has a molecular weight of 310.23 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 114265418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).