2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine

C16H23ClFN — CID 105032675

IUPAC2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1(C)CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-19-14(16(2)9-4-5-10-16)11-12-7-6-8-13(18)15(12)17/h6-8,14,19H,3-5,9-11H2,1-2H3
InChIKeyAPCOYGSHPZDWTR-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine (PubChem CID 105032675) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
PubChem CID105032675
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1(C)CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-19-14(16(2)9-4-5-10-16)11-12-7-6-8-13(18)15(12)17/h6-8,14,19H,3-5,9-11H2,1-2H3
InChIKeyAPCOYGSHPZDWTR-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105032489
2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 107312340
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylcyclopropyl)ethanamine
CID 112653897
N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 107311930
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 105377271
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine (CID 105032675) is 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine is CCNC(Cc1cccc(F)c1Cl)C1(C)CCCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is APCOYGSHPZDWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-19-14(16(2)9-4-5-10-16)11-12-7-6-8-13(18)15(12)17/h6-8,14,19H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 105032675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).