1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine

C17H23F2N — CID 105412597

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)C1C2CCCCC21
InChIInChI=1S/C17H23F2N/c1-2-20-16(17-14-5-3-4-6-15(14)17)9-11-7-12(18)10-13(19)8-11/h7-8,10,14-17,20H,2-6,9H2,1H3
InChIKeyAPMNLAKOLHEGLU-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.92
Rot. Bonds5

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine

1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine (PubChem CID 105412597) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
PubChem CID105412597
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)C1C2CCCCC21
InChIInChI=1S/C17H23F2N/c1-2-20-16(17-14-5-3-4-6-15(14)17)9-11-7-12(18)10-13(19)8-11/h7-8,10,14-17,20H,2-6,9H2,1H3
InChIKeyAPMNLAKOLHEGLU-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(6-bicyclo[3.1.0]hexanyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413133
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 64776459
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 79709136
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 105409747
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine (CID 105412597) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(F)c1)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is APMNLAKOLHEGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c1-2-20-16(17-14-5-3-4-6-15(14)17)9-11-7-12(18)10-13(19)8-11/h7-8,10,14-17,20H,2-6,9H2,1H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 279.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105412597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).