N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine

C17H24ClNO — CID 64864030

IUPACN-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccc(Cl)cc2C)C12CCCC2
InChIInChI=1S/C17H24ClNO/c1-3-20-16-11-15(17(16)8-4-5-9-17)19-14-7-6-13(18)10-12(14)2/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyZGYMQHPCJNXIFB-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.80
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64864030) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64864030
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccc(Cl)cc2C)C12CCCC2
InChIInChI=1S/C17H24ClNO/c1-3-20-16-11-15(17(16)8-4-5-9-17)19-14-7-6-13(18)10-12(14)2/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyZGYMQHPCJNXIFB-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
CID 64862895
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
CID 65167941
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
3-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]benzonitrile
CID 107807567
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
CID 106953950
N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169393
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 64864030) is N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(Nc2ccc(Cl)cc2C)C12CCCC2.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is ZGYMQHPCJNXIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-20-16-11-15(17(16)8-4-5-9-17)19-14-7-6-13(18)10-12(14)2/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64864030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).