N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine

C16H21Cl2NO — CID 65468186

IUPACN-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2c(Cl)cccc2Cl)C12CCCC2
InChIInChI=1S/C16H21Cl2NO/c1-2-20-14-10-13(16(14)8-3-4-9-16)19-15-11(17)6-5-7-12(15)18/h5-7,13-14,19H,2-4,8-10H2,1H3
InChIKeyLTKPMQPVXZVGDN-UHFFFAOYSA-N
MW314.26 g/mol
LogP5.14
Rot. Bonds4

About N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 65468186) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID65468186
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC NameN-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2c(Cl)cccc2Cl)C12CCCC2
InChIInChI=1S/C16H21Cl2NO/c1-2-20-14-10-13(16(14)8-3-4-9-16)19-15-11(17)6-5-7-12(15)18/h5-7,13-14,19H,2-4,8-10H2,1H3
InChIKeyLTKPMQPVXZVGDN-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.26
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 103478585
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
CID 65467782
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
CID 65167993
N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295569
3-ethoxy-N-(3-iodophenyl)spiro[3.4]octan-1-amine
CID 64864037
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
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-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 65468186) is N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(Nc2c(Cl)cccc2Cl)C12CCCC2.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is LTKPMQPVXZVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-2-20-14-10-13(16(14)8-3-4-9-16)19-15-11(17)6-5-7-12(15)18/h5-7,13-14,19H,2-4,8-10H2,1H3.
What are the key properties of N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 314.26 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 65468186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).