N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine

C17H26ClNO — CID 21435419

IUPACN-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
SMILESCOc1cc(CN(C)C2CCCCCCC2)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-19(15-8-6-4-3-5-7-9-15)13-14-10-11-16(18)17(12-14)20-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyAODWIMXNRQNEOG-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.89
Rot. Bonds4

About N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine

N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine (PubChem CID 21435419) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
PubChem CID21435419
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
SMILESCOc1cc(CN(C)C2CCCCCCC2)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-19(15-8-6-4-3-5-7-9-15)13-14-10-11-16(18)17(12-14)20-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyAODWIMXNRQNEOG-UHFFFAOYSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine 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-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
4-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788695
4-[[cyclopentyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788720
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine
CID 84746004
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
4-[(3,4-dimethoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119947
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
CID 62017781
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine (CID 21435419) is N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine is COc1cc(CN(C)C2CCCCCCC2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine?
The InChIKey is AODWIMXNRQNEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-19(15-8-6-4-3-5-7-9-15)13-14-10-11-16(18)17(12-14)20-2/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine?
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine has a molecular weight of 295.85 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine is sourced from PubChem (CID 21435419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).