N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine

C16H24FNO — CID 116762251

IUPACN-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1(OCC)CCCC1
InChIInChI=1S/C16H24FNO/c1-3-18-15(13-7-9-14(17)10-8-13)16(19-4-2)11-5-6-12-16/h7-10,15,18H,3-6,11-12H2,1-2H3
InChIKeyLGDHYLHEHIKHHH-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.83
Rot. Bonds6

About N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine

N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 116762251) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID116762251
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1(OCC)CCCC1
InChIInChI=1S/C16H24FNO/c1-3-18-15(13-7-9-14(17)10-8-13)16(19-4-2)11-5-6-12-16/h7-10,15,18H,3-6,11-12H2,1-2H3
InChIKeyLGDHYLHEHIKHHH-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine (CID 116762251) is N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)C1(OCC)CCCC1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is LGDHYLHEHIKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-18-15(13-7-9-14(17)10-8-13)16(19-4-2)11-5-6-12-16/h7-10,15,18H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 116762251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).