3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol

C15H20ClNO — CID 81328885

IUPAC3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2Cc3ccc(Cl)cc3C2)C1
InChIInChI=1S/C15H20ClNO/c16-12-5-4-10-7-14(8-11(10)6-12)17-13-2-1-3-15(18)9-13/h4-6,13-15,17-18H,1-3,7-9H2
InChIKeyURERVMGBEBVFMZ-UHFFFAOYSA-N
MW265.78 g/mol
LogP2.70
Rot. Bonds2

About 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol

3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol (PubChem CID 81328885) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol
PubChem CID81328885
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2Cc3ccc(Cl)cc3C2)C1
InChIInChI=1S/C15H20ClNO/c16-12-5-4-10-7-14(8-11(10)6-12)17-13-2-1-3-15(18)9-13/h4-6,13-15,17-18H,1-3,7-9H2
InChIKeyURERVMGBEBVFMZ-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol (CID 81328885) is 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol is OC1CCCC(NC2Cc3ccc(Cl)cc3C2)C1.
What is the InChIKey of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol?
The InChIKey is URERVMGBEBVFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-12-5-4-10-7-14(8-11(10)6-12)17-13-2-1-3-15(18)9-13/h4-6,13-15,17-18H,1-3,7-9H2.
What are the key properties of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol?
3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol has a molecular weight of 265.78 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 81328885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).