2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine

C18H19ClFN — CID 115983760

IUPAC2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H19ClFN/c19-17-13(6-4-9-15(17)20)12-16(21)18(10-5-11-18)14-7-2-1-3-8-14/h1-4,6-9,16H,5,10-12,21H2
InChIKeySDBLGJFCTZMGKT-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.47
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine

2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine (PubChem CID 115983760) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
PubChem CID115983760
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H19ClFN/c19-17-13(6-4-9-15(17)20)12-16(21)18(10-5-11-18)14-7-2-1-3-8-14/h1-4,6-9,16H,5,10-12,21H2
InChIKeySDBLGJFCTZMGKT-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62880715
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 114347866
2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 63079499
2-(2-chloro-5-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 102618859
2-(2-bromophenyl)-1-(1-phenylcyclopentyl)ethanamine
CID 63417762
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105032540
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270220
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 115983494
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560237

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine (CID 115983760) is 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine is NC(Cc1cccc(F)c1Cl)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine?
The InChIKey is SDBLGJFCTZMGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-17-13(6-4-9-15(17)20)12-16(21)18(10-5-11-18)14-7-2-1-3-8-14/h1-4,6-9,16H,5,10-12,21H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine has a molecular weight of 303.81 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine is sourced from PubChem (CID 115983760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).