(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine

C17H25Cl2N — CID 81392727

IUPAC(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N/c1-12(14-7-5-3-4-6-8-14)20-13(2)16-11-15(18)9-10-17(16)19/h9-14,20H,3-8H2,1-2H3/t12-,13?/m1/s1
InChIKeyFEKDODZYNHTULY-PZORYLMUSA-N
MW314.30 g/mol
LogP6.00
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine

(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine (PubChem CID 81392727) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
PubChem CID81392727
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N/c1-12(14-7-5-3-4-6-8-14)20-13(2)16-11-15(18)9-10-17(16)19/h9-14,20H,3-8H2,1-2H3/t12-,13?/m1/s1
InChIKeyFEKDODZYNHTULY-PZORYLMUSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 81391570
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81384496
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317718
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81385919

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine (CID 81392727) is (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine is CC(N[C@H](C)C1CCCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine?
The InChIKey is FEKDODZYNHTULY-PZORYLMUSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-12(14-7-5-3-4-6-8-14)20-13(2)16-11-15(18)9-10-17(16)19/h9-14,20H,3-8H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine?
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine has a molecular weight of 314.30 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81392727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).