4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol

C17H23ClFNO — CID 65186189

IUPAC4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)CC1CC2CCC1C2
InChIInChI=1S/C17H23ClFNO/c18-14-2-1-3-15(19)17(14)13(9-20)16(21)8-12-7-10-4-5-11(12)6-10/h1-3,10-13,16,21H,4-9,20H2
InChIKeyWABHMHSLOGKBQZ-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.71
Rot. Bonds5

About 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol

4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol (PubChem CID 65186189) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol
PubChem CID65186189
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)CC1CC2CCC1C2
InChIInChI=1S/C17H23ClFNO/c18-14-2-1-3-15(19)17(14)13(9-20)16(21)8-12-7-10-4-5-11(12)6-10/h1-3,10-13,16,21H,4-9,20H2
InChIKeyWABHMHSLOGKBQZ-UHFFFAOYSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol with MolForge

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Related Compounds

3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817177
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
CID 63683000
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63527858
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 115784962
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
CID 65186284
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
CID 105020691
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115797029
2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
CID 79549846

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol (CID 65186189) is 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol is NCC(c1c(F)cccc1Cl)C(O)CC1CC2CCC1C2.
What is the InChIKey of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol?
The InChIKey is WABHMHSLOGKBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c18-14-2-1-3-15(19)17(14)13(9-20)16(21)8-12-7-10-4-5-11(12)6-10/h1-3,10-13,16,21H,4-9,20H2.
What are the key properties of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol?
4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol has a molecular weight of 311.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol is sourced from PubChem (CID 65186189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).