1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

C17H26ClFN2 — CID 107884906

IUPAC1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1(N(C)C)CCCC1
InChIInChI=1S/C17H26ClFN2/c1-4-20-16(17(21(2)3)9-5-6-10-17)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3
InChIKeyVTYAICAGLSCMTJ-UHFFFAOYSA-N
MW312.86 g/mol
LogP3.87
Rot. Bonds6

About 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 107884906) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID107884906
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1(N(C)C)CCCC1
InChIInChI=1S/C17H26ClFN2/c1-4-20-16(17(21(2)3)9-5-6-10-17)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3
InChIKeyVTYAICAGLSCMTJ-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 107895172
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 107891760
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647
1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79062523
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 107884906) is 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is CCNC(Cc1ccc(Cl)c(F)c1)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is VTYAICAGLSCMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2/c1-4-20-16(17(21(2)3)9-5-6-10-17)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 312.86 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 107884906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).