N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine

C18H28FN — CID 105374013

IUPACN-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CCC(CC)C1
InChIInChI=1S/C18H28FN/c1-4-14-7-8-15(10-14)18(20-5-2)12-16-11-17(19)9-6-13(16)3/h6,9,11,14-15,18,20H,4-5,7-8,10,12H2,1-3H3
InChIKeyVOGSSFQQFDHMJD-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.48
Rot. Bonds6

About N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine

N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105374013) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105374013
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CCC(CC)C1
InChIInChI=1S/C18H28FN/c1-4-14-7-8-15(10-14)18(20-5-2)12-16-11-17(19)9-6-13(16)3/h6,9,11,14-15,18,20H,4-5,7-8,10,12H2,1-3H3
InChIKeyVOGSSFQQFDHMJD-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374247
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
CID 102857659
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105374013) is N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)C1CCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is VOGSSFQQFDHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-14-7-8-15(10-14)18(20-5-2)12-16-11-17(19)9-6-13(16)3/h6,9,11,14-15,18,20H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105374013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).