8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride

C16H23Cl2NO2 — CID 12595632

IUPAC8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC2(CC1)OCCO2.Cl
InChIInChI=1S/C16H22ClNO2.ClH/c1-18(2)15(13-3-5-14(17)6-4-13)7-9-16(10-8-15)19-11-12-20-16;/h3-6H,7-12H2,1-2H3;1H
InChIKeyOJFFXZWEUQJQHV-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.84
Rot. Bonds2

About 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride

8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride (PubChem CID 12595632) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride
PubChem CID12595632
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC2(CC1)OCCO2.Cl
InChIInChI=1S/C16H22ClNO2.ClH/c1-18(2)15(13-3-5-14(17)6-4-13)7-9-16(10-8-15)19-11-12-20-16;/h3-6H,7-12H2,1-2H3;1H
InChIKeyOJFFXZWEUQJQHV-UHFFFAOYSA-N
XLogP3.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
The IUPAC name of 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride (CID 12595632) is 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride.
What is the SMILES notation for 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
The canonical SMILES for 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride is CN(C)C1(c2ccc(Cl)cc2)CCC2(CC1)OCCO2.Cl.
What is the InChIKey of 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
The InChIKey is OJFFXZWEUQJQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2.ClH/c1-18(2)15(13-3-5-14(17)6-4-13)7-9-16(10-8-15)19-11-12-20-16;/h3-6H,7-12H2,1-2H3;1H.
What are the key properties of 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride has a molecular weight of 332.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride is sourced from PubChem (CID 12595632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).