1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine

C17H27FN2 — CID 79069802

IUPAC1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)Cc2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H27FN2/c1-3-20(4-2)17(11-5-6-12-17)16(19)13-14-7-9-15(18)10-8-14/h7-10,16H,3-6,11-13,19H2,1-2H3
InChIKeyGHORBVQVGKWUBU-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.35
Rot. Bonds6

About 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine

1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 79069802) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine
PubChem CID79069802
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)Cc2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H27FN2/c1-3-20(4-2)17(11-5-6-12-17)16(19)13-14-7-9-15(18)10-8-14/h7-10,16H,3-6,11-13,19H2,1-2H3
InChIKeyGHORBVQVGKWUBU-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79069650
N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
CID 79070190
1-[1-amino-2-(4-iodophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081776
1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol
CID 79058910
1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol
CID 79070717
2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105086960
1-(1-amino-3-ethylpentyl)-N,N-diethylcyclopentan-1-amine
CID 82922550
1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 105374090
[2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278155
2-(4-ethylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115802920
1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063382
1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106942748

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine (CID 79069802) is 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(N)Cc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is GHORBVQVGKWUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-20(4-2)17(11-5-6-12-17)16(19)13-14-7-9-15(18)10-8-14/h7-10,16H,3-6,11-13,19H2,1-2H3.
What are the key properties of 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine?
1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 79069802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).