1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride

C16H23Cl2NO — CID 19862246

IUPAC1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)CC1CCCCC12Cc1c(Cl)cccc1O2.Cl
InChIInChI=1S/C16H22ClNO.ClH/c1-18(2)11-12-6-3-4-9-16(12)10-13-14(17)7-5-8-15(13)19-16;/h5,7-8,12H,3-4,6,9-11H2,1-2H3;1H
InChIKeyOCRNWGSQSYDOJQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride

1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride (PubChem CID 19862246) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride
PubChem CID19862246
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)CC1CCCCC12Cc1c(Cl)cccc1O2.Cl
InChIInChI=1S/C16H22ClNO.ClH/c1-18(2)11-12-6-3-4-9-16(12)10-13-14(17)7-5-8-15(13)19-16;/h5,7-8,12H,3-4,6,9-11H2,1-2H3;1H
InChIKeyOCRNWGSQSYDOJQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride (CID 19862246) is 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride is CN(C)CC1CCCCC12Cc1c(Cl)cccc1O2.Cl.
What is the InChIKey of 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is OCRNWGSQSYDOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO.ClH/c1-18(2)11-12-6-3-4-9-16(12)10-13-14(17)7-5-8-15(13)19-16;/h5,7-8,12H,3-4,6,9-11H2,1-2H3;1H.
What are the key properties of 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride?
1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 316.27 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 19862246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).