2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine

C17H24ClNO — CID 43480990

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-19-16(10-14-8-11-3-4-12(14)7-11)13-5-6-17(20-2)15(18)9-13/h5-6,9,11-12,14,16,19H,3-4,7-8,10H2,1-2H3
InChIKeyHQAAVTPWVDIJTK-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.44
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 43480990) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine
PubChem CID43480990
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-19-16(10-14-8-11-3-4-12(14)7-11)13-5-6-17(20-2)15(18)9-13/h5-6,9,11-12,14,16,19H,3-4,7-8,10H2,1-2H3
InChIKeyHQAAVTPWVDIJTK-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63428698
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromo-4-ethoxyphenyl)-N-methylethanamine
CID 104657552
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792090
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012798
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012799
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107994380
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine (CID 43480990) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine is CNC(CC1CC2CCC1C2)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is HQAAVTPWVDIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-19-16(10-14-8-11-3-4-12(14)7-11)13-5-6-17(20-2)15(18)9-13/h5-6,9,11-12,14,16,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 293.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43480990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).