1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine

C17H23Cl2N — CID 107309017

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1CC2CCC1C2
InChIInChI=1S/C17H23Cl2N/c1-2-20-16(14-9-11-6-7-12(14)8-11)10-13-4-3-5-15(18)17(13)19/h3-5,11-12,14,16,20H,2,6-10H2,1H3
InChIKeyWQYLUQQFRCVXQV-UHFFFAOYSA-N
MW312.28 g/mol
LogP4.95
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine

1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine (PubChem CID 107309017) has the molecular formula C17H23Cl2N and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
PubChem CID107309017
Molecular FormulaC17H23Cl2N
Molecular Weight312.28 g/mol
Exact Mass311.12
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1CC2CCC1C2
InChIInChI=1S/C17H23Cl2N/c1-2-20-16(14-9-11-6-7-12(14)8-11)10-13-4-3-5-15(18)17(13)19/h3-5,11-12,14,16,20H,2,6-10H2,1H3
InChIKeyWQYLUQQFRCVXQV-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
CID 107308723
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
N-[2-(2,3-dichlorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107312289
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107308654
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
CID 82787851
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107308876

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine (CID 107309017) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1Cl)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The InChIKey is WQYLUQQFRCVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N/c1-2-20-16(14-9-11-6-7-12(14)8-11)10-13-4-3-5-15(18)17(13)19/h3-5,11-12,14,16,20H,2,6-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine has a molecular weight of 312.28 g/mol, XLogP of 4.95, 5 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)-2-(2,3-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107309017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).