1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol

C22H25Cl2NO — CID 68674733

IUPAC1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NCC1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C22H25Cl2NO/c23-18-9-8-16(13-19(18)24)22(10-4-1-5-11-22)14-25-21-17-7-3-2-6-15(17)12-20(21)26/h2-3,6-9,13,20-21,25-26H,1,4-5,10-12,14H2
InChIKeyFACANCPSZYDEKL-UHFFFAOYSA-N
MW390.35 g/mol
LogP5.44
Rot. Bonds4

About 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol

1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 68674733) has the molecular formula C22H25Cl2NO and a molecular weight of 390.35 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID68674733
Molecular FormulaC22H25Cl2NO
Molecular Weight390.35 g/mol
Exact Mass389.13
IUPAC Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NCC1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C22H25Cl2NO/c23-18-9-8-16(13-19(18)24)22(10-4-1-5-11-22)14-25-21-17-7-3-2-6-15(17)12-20(21)26/h2-3,6-9,13,20-21,25-26H,1,4-5,10-12,14H2
InChIKeyFACANCPSZYDEKL-UHFFFAOYSA-N
XLogP5.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol (CID 68674733) is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol is OC1Cc2ccccc2C1NCC1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is FACANCPSZYDEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO/c23-18-9-8-16(13-19(18)24)22(10-4-1-5-11-22)14-25-21-17-7-3-2-6-15(17)12-20(21)26/h2-3,6-9,13,20-21,25-26H,1,4-5,10-12,14H2.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 390.35 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 68674733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).