N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

C17H23BrClNO — CID 103478585

IUPACN-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2cccc(Cl)c2Br)C12CCCCC2
InChIInChI=1S/C17H23BrClNO/c1-2-21-15-11-14(17(15)9-4-3-5-10-17)20-13-8-6-7-12(19)16(13)18/h6-8,14-15,20H,2-5,9-11H2,1H3
InChIKeyQDRZBHKSHAUASX-UHFFFAOYSA-N
MW372.73 g/mol
LogP5.64
Rot. Bonds4

About N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 103478585) has the molecular formula C17H23BrClNO and a molecular weight of 372.73 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID103478585
Molecular FormulaC17H23BrClNO
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC NameN-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2cccc(Cl)c2Br)C12CCCCC2
InChIInChI=1S/C17H23BrClNO/c1-2-21-15-11-14(17(15)9-4-3-5-10-17)20-13-8-6-7-12(19)16(13)18/h6-8,14-15,20H,2-5,9-11H2,1H3
InChIKeyQDRZBHKSHAUASX-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169393
3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
CID 64864038
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167662
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
3-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]benzonitrile
CID 107807567

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 103478585) is N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(Nc2cccc(Cl)c2Br)C12CCCCC2.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is QDRZBHKSHAUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrClNO/c1-2-21-15-11-14(17(15)9-4-3-5-10-17)20-13-8-6-7-12(19)16(13)18/h6-8,14-15,20H,2-5,9-11H2,1H3.
What are the key properties of N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 372.73 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 103478585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).