N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine

C19H30ClNO2 — CID 66532386

IUPACN-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
SMILESCCOc1cc(Cl)c(CNC2CCCCCCC2)cc1OCC
InChIInChI=1S/C19H30ClNO2/c1-3-22-18-12-15(17(20)13-19(18)23-4-2)14-21-16-10-8-6-5-7-9-11-16/h12-13,16,21H,3-11,14H2,1-2H3
InChIKeyBGPHBEIPPVOCOR-UHFFFAOYSA-N
MW339.91 g/mol
LogP5.34
Rot. Bonds7

About N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine

N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine (PubChem CID 66532386) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
PubChem CID66532386
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC NameN-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
SMILESCCOc1cc(Cl)c(CNC2CCCCCCC2)cc1OCC
InChIInChI=1S/C19H30ClNO2/c1-3-22-18-12-15(17(20)13-19(18)23-4-2)14-21-16-10-8-6-5-7-9-11-16/h12-13,16,21H,3-11,14H2,1-2H3
InChIKeyBGPHBEIPPVOCOR-UHFFFAOYSA-N
XLogP5.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]cycloheptanamine
CID 66532216
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopropanamine
CID 66531821
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopropanamine
CID 66532073
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]cycloheptanamine
CID 66530918
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclooctanamine
CID 66533181
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 66532864
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
CID 66525622
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]cyclohexanamine
CID 4721498
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cycloheptanamine
CID 66533535

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine?
The IUPAC name of N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine (CID 66532386) is N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine?
The canonical SMILES for N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine is CCOc1cc(Cl)c(CNC2CCCCCCC2)cc1OCC.
What is the InChIKey of N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine?
The InChIKey is BGPHBEIPPVOCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO2/c1-3-22-18-12-15(17(20)13-19(18)23-4-2)14-21-16-10-8-6-5-7-9-11-16/h12-13,16,21H,3-11,14H2,1-2H3.
What are the key properties of N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine?
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine has a molecular weight of 339.91 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine is sourced from PubChem (CID 66532386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).