2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine

C17H26ClNO — CID 65303673

IUPAC2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
SMILESCNCCC1(CCc2ccc(OC)c(Cl)c2)CCCC1
InChIInChI=1S/C17H26ClNO/c1-19-12-11-17(8-3-4-9-17)10-7-14-5-6-16(20-2)15(18)13-14/h5-6,13,19H,3-4,7-12H2,1-2H3
InChIKeyGFPCNFOPIUETBJ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.45
Rot. Bonds7

About 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine

2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine (PubChem CID 65303673) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
PubChem CID65303673
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
SMILESCNCCC1(CCc2ccc(OC)c(Cl)c2)CCCC1
InChIInChI=1S/C17H26ClNO/c1-19-12-11-17(8-3-4-9-17)10-7-14-5-6-16(20-2)15(18)13-14/h5-6,13,19H,3-4,7-12H2,1-2H3
InChIKeyGFPCNFOPIUETBJ-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003
1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 116929052
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 65305595
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
2-chloro-4-(3,3-dimethylbutyl)-1-methoxybenzene
CID 59453588
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine (CID 65303673) is 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine is CNCCC1(CCc2ccc(OC)c(Cl)c2)CCCC1.
What is the InChIKey of 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine?
The InChIKey is GFPCNFOPIUETBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-19-12-11-17(8-3-4-9-17)10-7-14-5-6-16(20-2)15(18)13-14/h5-6,13,19H,3-4,7-12H2,1-2H3.
What are the key properties of 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine?
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine is sourced from PubChem (CID 65303673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).