(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine

C17H26BrN — CID 81389871

IUPAC(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
SMILESCC(N[C@@H](C)C1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-13(15-9-5-3-4-6-10-15)19-14(2)16-11-7-8-12-17(16)18/h7-8,11-15,19H,3-6,9-10H2,1-2H3/t13-,14?/m0/s1
InChIKeyFLWUHASSVDFAQF-LSLKUGRBSA-N
MW324.31 g/mol
LogP5.46
Rot. Bonds4

About (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine

(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine (PubChem CID 81389871) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
PubChem CID81389871
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
SMILESCC(N[C@@H](C)C1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-13(15-9-5-3-4-6-10-15)19-14(2)16-11-7-8-12-17(16)18/h7-8,11-15,19H,3-6,9-10H2,1-2H3/t13-,14?/m0/s1
InChIKeyFLWUHASSVDFAQF-LSLKUGRBSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine?
The IUPAC name of (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine (CID 81389871) is (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine.
What is the SMILES notation for (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine?
The canonical SMILES for (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine is CC(N[C@@H](C)C1CCCCCC1)c1ccccc1Br.
What is the InChIKey of (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine?
The InChIKey is FLWUHASSVDFAQF-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H26BrN/c1-13(15-9-5-3-4-6-10-15)19-14(2)16-11-7-8-12-17(16)18/h7-8,11-15,19H,3-6,9-10H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine?
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine has a molecular weight of 324.31 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine is sourced from PubChem (CID 81389871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).