N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

C17H23BrClNO — CID 65169393

IUPACN-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2cc(Br)ccc2Cl)C12CCCCC2
InChIInChI=1S/C17H23BrClNO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-10-12(18)6-7-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyKTQNWWIMHXQUEQ-UHFFFAOYSA-N
MW372.73 g/mol
LogP5.64
Rot. Bonds4

About N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65169393) has the molecular formula C17H23BrClNO and a molecular weight of 372.73 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65169393
Molecular FormulaC17H23BrClNO
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2cc(Br)ccc2Cl)C12CCCCC2
InChIInChI=1S/C17H23BrClNO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-10-12(18)6-7-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyKTQNWWIMHXQUEQ-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-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 103478585
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167662
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
3-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]benzonitrile
CID 107807567
5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
CID 133353747
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814
N-[(5-bromo-2-fluorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294569

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65169393) is N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(Nc2cc(Br)ccc2Cl)C12CCCCC2.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is KTQNWWIMHXQUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrClNO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-10-12(18)6-7-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3.
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(5-bromo-2-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-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).