N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine

C17H27FN2 — CID 79070190

IUPACN,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
SMILESCCN(CC)C1(C(NC)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H27FN2/c1-4-20(5-2)17(12-6-7-13-17)16(19-3)14-8-10-15(18)11-9-14/h8-11,16,19H,4-7,12-13H2,1-3H3
InChIKeyAYHOATQWIHRZLY-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.74
Rot. Bonds6

About N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine

N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine (PubChem CID 79070190) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
PubChem CID79070190
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
SMILESCCN(CC)C1(C(NC)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H27FN2/c1-4-20(5-2)17(12-6-7-13-17)16(19-3)14-8-10-15(18)11-9-14/h8-11,16,19H,4-7,12-13H2,1-3H3
InChIKeyAYHOATQWIHRZLY-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine (CID 79070190) is N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine is CCN(CC)C1(C(NC)c2ccc(F)cc2)CCCC1.
What is the InChIKey of N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine?
The InChIKey is AYHOATQWIHRZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-20(5-2)17(12-6-7-13-17)16(19-3)14-8-10-15(18)11-9-14/h8-11,16,19H,4-7,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine?
N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79070190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).