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

C17H27FN2 — CID 79070691

IUPAC1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(Cc1cccc(F)c1)C1(N(C)C)CCCC1
InChIInChI=1S/C17H27FN2/c1-4-19-16(13-14-8-7-9-15(18)12-14)17(20(2)3)10-5-6-11-17/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3
InChIKeyQFVCKLJILWLVMO-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.22
Rot. Bonds6

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

1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79070691) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79070691
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(Cc1cccc(F)c1)C1(N(C)C)CCCC1
InChIInChI=1S/C17H27FN2/c1-4-19-16(13-14-8-7-9-15(18)12-14)17(20(2)3)10-5-6-11-17/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3
InChIKeyQFVCKLJILWLVMO-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106827610
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79057960
1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105412939
1-[1-(ethylamino)-2-pyridin-2-ylethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070225
N-ethyl-1-(3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556929
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074692

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 79070691) is 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine is CCNC(Cc1cccc(F)c1)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is QFVCKLJILWLVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-19-16(13-14-8-7-9-15(18)12-14)17(20(2)3)10-5-6-11-17/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3.
What are the key properties of 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79070691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).