4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol

C18H26ClNO — CID 106125007

IUPAC4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCC(O)CC1
InChIInChI=1S/C18H26ClNO/c1-18(2)10-13-5-6-14(19)9-16(13)17(18)20-11-12-3-7-15(21)8-4-12/h5-6,9,12,15,17,20-21H,3-4,7-8,10-11H2,1-2H3
InChIKeyXWWXCMXFRLFNJA-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.10
Rot. Bonds3

About 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol

4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106125007) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106125007
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCC(O)CC1
InChIInChI=1S/C18H26ClNO/c1-18(2)10-13-5-6-14(19)9-16(13)17(18)20-11-12-3-7-15(21)8-4-12/h5-6,9,12,15,17,20-21H,3-4,7-8,10-11H2,1-2H3
InChIKeyXWWXCMXFRLFNJA-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol (CID 106125007) is 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol is CC1(C)Cc2ccc(Cl)cc2C1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XWWXCMXFRLFNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-18(2)10-13-5-6-14(19)9-16(13)17(18)20-11-12-3-7-15(21)8-4-12/h5-6,9,12,15,17,20-21H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 307.86 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).