1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine

C14H19ClFN — CID 115863424

IUPAC1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-17-13(9-10-5-3-6-10)14-11(15)7-4-8-12(14)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyMSNOAECGBMRFFU-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine

1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine (PubChem CID 115863424) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
PubChem CID115863424
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-17-13(9-10-5-3-6-10)14-11(15)7-4-8-12(14)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyMSNOAECGBMRFFU-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
1-(2-chloro-6-fluorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037136
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
CID 114887135
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine (CID 115863424) is 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine is CCNC(CC1CCC1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
The InChIKey is MSNOAECGBMRFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-17-13(9-10-5-3-6-10)14-11(15)7-4-8-12(14)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine has a molecular weight of 255.76 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine is sourced from PubChem (CID 115863424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).