1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine

C17H23ClFN — CID 103040435

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1CC2CCC1C2
InChIInChI=1S/C17H23ClFN/c1-2-20-17(14-8-11-3-5-13(14)7-11)10-12-4-6-16(19)15(18)9-12/h4,6,9,11,13-14,17,20H,2-3,5,7-8,10H2,1H3
InChIKeyQZDWCLMCHHFIFF-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine

1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine (PubChem CID 103040435) has the molecular formula C17H23ClFN and a molecular weight of 295.83 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
PubChem CID103040435
Molecular FormulaC17H23ClFN
Molecular Weight295.83 g/mol
Exact Mass295.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1CC2CCC1C2
InChIInChI=1S/C17H23ClFN/c1-2-20-17(14-8-11-3-5-13(14)7-11)10-12-4-6-16(19)15(18)9-12/h4,6,9,11,13-14,17,20H,2-3,5,7-8,10H2,1H3
InChIKeyQZDWCLMCHHFIFF-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406929
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine (CID 103040435) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(Cl)c1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
The InChIKey is QZDWCLMCHHFIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN/c1-2-20-17(14-8-11-3-5-13(14)7-11)10-12-4-6-16(19)15(18)9-12/h4,6,9,11,13-14,17,20H,2-3,5,7-8,10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine has a molecular weight of 295.83 g/mol, XLogP of 4.44, 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-(3-chloro-4-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 103040435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).