N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride

C18H29Cl2NO2 — CID 2962391

IUPACN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCCOc1c(Cl)cc(CNC2CCCCCCC2)cc1OC.Cl
InChIInChI=1S/C18H28ClNO2.ClH/c1-3-22-18-16(19)11-14(12-17(18)21-2)13-20-15-9-7-5-4-6-8-10-15;/h11-12,15,20H,3-10,13H2,1-2H3;1H
InChIKeyOSYOPQREUOJKPL-UHFFFAOYSA-N
MW362.34 g/mol
LogP5.37
Rot. Bonds6

About N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride (PubChem CID 2962391) has the molecular formula C18H29Cl2NO2 and a molecular weight of 362.34 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
PubChem CID2962391
Molecular FormulaC18H29Cl2NO2
Molecular Weight362.34 g/mol
Exact Mass361.16
IUPAC NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCCOc1c(Cl)cc(CNC2CCCCCCC2)cc1OC.Cl
InChIInChI=1S/C18H28ClNO2.ClH/c1-3-22-18-16(19)11-14(12-17(18)21-2)13-20-15-9-7-5-4-6-8-10-15;/h11-12,15,20H,3-10,13H2,1-2H3;1H
InChIKeyOSYOPQREUOJKPL-UHFFFAOYSA-N
XLogP5.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.34
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
CID 4717339
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]azepan-2-one;hydrochloride
CID 56797284
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]cyclohexanamine;hydrochloride
CID 17213329
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721628
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride (CID 2962391) is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride is CCOc1c(Cl)cc(CNC2CCCCCCC2)cc1OC.Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The InChIKey is OSYOPQREUOJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO2.ClH/c1-3-22-18-16(19)11-14(12-17(18)21-2)13-20-15-9-7-5-4-6-8-10-15;/h11-12,15,20H,3-10,13H2,1-2H3;1H.
What are the key properties of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride has a molecular weight of 362.34 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride is sourced from PubChem (CID 2962391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).