2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine

C17H26ClNO — CID 107188374

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1CCCC1(C)C
InChIInChI=1S/C17H26ClNO/c1-17(2)9-5-6-14(17)15(19-3)11-12-10-13(18)7-8-16(12)20-4/h7-8,10,14-15,19H,5-6,9,11H2,1-4H3
InChIKeyYIIJOSQNGBMDEX-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.31
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine

2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine (PubChem CID 107188374) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
PubChem CID107188374
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1CCCC1(C)C
InChIInChI=1S/C17H26ClNO/c1-17(2)9-5-6-14(17)15(19-3)11-12-10-13(18)7-8-16(12)20-4/h7-8,10,14-15,19H,5-6,9,11H2,1-4H3
InChIKeyYIIJOSQNGBMDEX-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107193657
1-(2,2-dimethylcyclopentyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107190809
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115845087
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79058125
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107189010
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine (CID 107188374) is 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1OC)C1CCCC1(C)C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine?
The InChIKey is YIIJOSQNGBMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2)9-5-6-14(17)15(19-3)11-12-10-13(18)7-8-16(12)20-4/h7-8,10,14-15,19H,5-6,9,11H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine is sourced from PubChem (CID 107188374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).