1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol

C18H27ClN2O — CID 111512129

IUPAC1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
SMILESCC(C)N1C2CCC1CN(CC(O)c1ccccc1Cl)CC2
InChIInChI=1S/C18H27ClN2O/c1-13(2)21-14-7-8-15(21)11-20(10-9-14)12-18(22)16-5-3-4-6-17(16)19/h3-6,13-15,18,22H,7-12H2,1-2H3
InChIKeyRZZFJRJBZYDSHA-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol

1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol (PubChem CID 111512129) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
PubChem CID111512129
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
SMILESCC(C)N1C2CCC1CN(CC(O)c1ccccc1Cl)CC2
InChIInChI=1S/C18H27ClN2O/c1-13(2)21-14-7-8-15(21)11-20(10-9-14)12-18(22)16-5-3-4-6-17(16)19/h3-6,13-15,18,22H,7-12H2,1-2H3
InChIKeyRZZFJRJBZYDSHA-UHFFFAOYSA-N
XLogP3.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol with MolForge

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Related Compounds

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1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
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1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
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1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol (CID 111512129) is 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol is CC(C)N1C2CCC1CN(CC(O)c1ccccc1Cl)CC2.
What is the InChIKey of 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol?
The InChIKey is RZZFJRJBZYDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-13(2)21-14-7-8-15(21)11-20(10-9-14)12-18(22)16-5-3-4-6-17(16)19/h3-6,13-15,18,22H,7-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol?
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol has a molecular weight of 322.88 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol is sourced from PubChem (CID 111512129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).