N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride

C17H27Cl2NO2 — CID 6457206

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OC.Cl
InChIInChI=1S/C17H26ClNO2.ClH/c1-20-16-11-13(10-15(18)17(16)21-2)12-19-14-8-6-4-3-5-7-9-14;/h10-11,14,19H,3-9,12H2,1-2H3;1H
InChIKeyCMWOWGDJCVZITE-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.98
Rot. Bonds5

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride (PubChem CID 6457206) has the molecular formula C17H27Cl2NO2 and a molecular weight of 348.31 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
PubChem CID6457206
Molecular FormulaC17H27Cl2NO2
Molecular Weight348.31 g/mol
Exact Mass347.14
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OC.Cl
InChIInChI=1S/C17H26ClNO2.ClH/c1-20-16-11-13(10-15(18)17(16)21-2)12-19-14-8-6-4-3-5-7-9-14;/h10-11,14,19H,3-9,12H2,1-2H3;1H
InChIKeyCMWOWGDJCVZITE-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721628
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
CID 4717339

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride (CID 6457206) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride is COc1cc(CNC2CCCCCCC2)cc(Cl)c1OC.Cl.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The InChIKey is CMWOWGDJCVZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2.ClH/c1-20-16-11-13(10-15(18)17(16)21-2)12-19-14-8-6-4-3-5-7-9-14;/h10-11,14,19H,3-9,12H2,1-2H3;1H.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride has a molecular weight of 348.31 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride is sourced from PubChem (CID 6457206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).