1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol

C22H35NO — CID 166351066

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
SMILESCC(C)C1CCC(C(C)(O)CNCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H35NO/c1-16(2)18-9-11-21(12-10-18)22(3,24)15-23-14-17-7-8-19-5-4-6-20(19)13-17/h7-8,13,16,18,21,23-24H,4-6,9-12,14-15H2,1-3H3
InChIKeyRRXGPHVQLGUKAB-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.48
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol

1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol (PubChem CID 166351066) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
PubChem CID166351066
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
SMILESCC(C)C1CCC(C(C)(O)CNCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H35NO/c1-16(2)18-9-11-21(12-10-18)22(3,24)15-23-14-17-7-8-19-5-4-6-20(19)13-17/h7-8,13,16,18,21,23-24H,4-6,9-12,14-15H2,1-3H3
InChIKeyRRXGPHVQLGUKAB-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol with MolForge

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Related Compounds

2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838824
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 167933657
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086277
N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166350982
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 166350994
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
CID 113490172

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol (CID 166351066) is 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol is CC(C)C1CCC(C(C)(O)CNCc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The InChIKey is RRXGPHVQLGUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-16(2)18-9-11-21(12-10-18)22(3,24)15-23-14-17-7-8-19-5-4-6-20(19)13-17/h7-8,13,16,18,21,23-24H,4-6,9-12,14-15H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol has a molecular weight of 329.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol is sourced from PubChem (CID 166351066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).