(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine

C17H25Br2N — CID 81391306

IUPAC(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H25Br2N/c1-12(14-7-5-3-4-6-8-14)20-13(2)16-10-9-15(18)11-17(16)19/h9-14,20H,3-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyVJVHOIZJKWVROE-UEWDXFNNSA-N
MW403.20 g/mol
LogP6.22
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine (PubChem CID 81391306) has the molecular formula C17H25Br2N and a molecular weight of 403.20 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
PubChem CID81391306
Molecular FormulaC17H25Br2N
Molecular Weight403.20 g/mol
Exact Mass401.04
IUPAC Name(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H25Br2N/c1-12(14-7-5-3-4-6-8-14)20-13(2)16-10-9-15(18)11-17(16)19/h9-14,20H,3-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyVJVHOIZJKWVROE-UEWDXFNNSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.20
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781974
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
(1S)-1-cycloheptyl-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 81391570

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine (CID 81391306) is (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine is CC(N[C@@H](C)C1CCCCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine?
The InChIKey is VJVHOIZJKWVROE-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H25Br2N/c1-12(14-7-5-3-4-6-8-14)20-13(2)16-10-9-15(18)11-17(16)19/h9-14,20H,3-8H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine has a molecular weight of 403.20 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine is sourced from PubChem (CID 81391306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).