1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine

C18H25ClFN — CID 82787851

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1F)CC1CC2CCC1C2
InChIInChI=1S/C18H25ClFN/c1-2-21-16(10-14-4-3-5-17(19)18(14)20)11-15-9-12-6-7-13(15)8-12/h3-5,12-13,15-16,21H,2,6-11H2,1H3
InChIKeyMFYGIVKLNGIZLD-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.83
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine (PubChem CID 82787851) has the molecular formula C18H25ClFN and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
PubChem CID82787851
Molecular FormulaC18H25ClFN
Molecular Weight309.86 g/mol
Exact Mass309.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1F)CC1CC2CCC1C2
InChIInChI=1S/C18H25ClFN/c1-2-21-16(10-14-4-3-5-17(19)18(14)20)11-15-9-12-6-7-13(15)8-12/h3-5,12-13,15-16,21H,2,6-11H2,1H3
InChIKeyMFYGIVKLNGIZLD-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine
CID 79562830
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
CID 106867858
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
CID 102857659
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107994380
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine (CID 82787851) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1cccc(Cl)c1F)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is MFYGIVKLNGIZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN/c1-2-21-16(10-14-4-3-5-17(19)18(14)20)11-15-9-12-6-7-13(15)8-12/h3-5,12-13,15-16,21H,2,6-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 82787851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).