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

C18H25ClFN — CID 79562830

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Cl)CC1CC2CCC1C2
InChIInChI=1S/C18H25ClFN/c1-2-21-17(9-14-5-6-16(20)11-18(14)19)10-15-8-12-3-4-13(15)7-12/h5-6,11-13,15,17,21H,2-4,7-10H2,1H3
InChIKeyAQKKBLHKADDVOI-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.83
Rot. Bonds6

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

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine (PubChem CID 79562830) 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-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine
PubChem CID79562830
Molecular FormulaC18H25ClFN
Molecular Weight309.86 g/mol
Exact Mass309.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Cl)CC1CC2CCC1C2
InChIInChI=1S/C18H25ClFN/c1-2-21-17(9-14-5-6-16(20)11-18(14)19)10-15-8-12-3-4-13(15)7-12/h5-6,11-13,15,17,21H,2-4,7-10H2,1H3
InChIKeyAQKKBLHKADDVOI-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-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
CID 82787851
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
CID 106867858
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864331
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107994380
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215533
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine (CID 79562830) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1ccc(F)cc1Cl)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is AQKKBLHKADDVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN/c1-2-21-17(9-14-5-6-16(20)11-18(14)19)10-15-8-12-3-4-13(15)7-12/h5-6,11-13,15,17,21H,2-4,7-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 79562830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).