(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine

C15H20Cl2FN — CID 81396255

IUPAC(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2FN/c1-9(11-5-3-4-6-11)19-10(2)12-7-15(18)14(17)8-13(12)16/h7-11,19H,3-6H2,1-2H3/t9-,10?/m1/s1
InChIKeyVVGAJWCPIMBEJG-YHMJZVADSA-N
MW304.24 g/mol
LogP5.36
Rot. Bonds4

About (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine

(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine (PubChem CID 81396255) has the molecular formula C15H20Cl2FN and a molecular weight of 304.24 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
PubChem CID81396255
Molecular FormulaC15H20Cl2FN
Molecular Weight304.24 g/mol
Exact Mass303.10
IUPAC Name(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2FN/c1-9(11-5-3-4-6-11)19-10(2)12-7-15(18)14(17)8-13(12)16/h7-11,19H,3-6H2,1-2H3/t9-,10?/m1/s1
InChIKeyVVGAJWCPIMBEJG-YHMJZVADSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.24
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine
CID 63479051
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727
(1S)-1-cycloheptyl-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 81391570
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 63450527
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43767888
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81364650
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81385919
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine (CID 81396255) is (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine is CC(N[C@H](C)C1CCCC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
The InChIKey is VVGAJWCPIMBEJG-YHMJZVADSA-N. The full InChI is InChI=1S/C15H20Cl2FN/c1-9(11-5-3-4-6-11)19-10(2)12-7-15(18)14(17)8-13(12)16/h7-11,19H,3-6H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine has a molecular weight of 304.24 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81396255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).