N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline

C16H25FN2 — CID 43284607

IUPACN-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)C2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2/c1-4-18-12(2)13-9-10-16(15(17)11-13)19(3)14-7-5-6-8-14/h9-12,14,18H,4-8H2,1-3H3
InChIKeyZXCDOGCUTMVEPZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.88
Rot. Bonds5

About N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline

N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline (PubChem CID 43284607) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
PubChem CID43284607
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)C2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2/c1-4-18-12(2)13-9-10-16(15(17)11-13)19(3)14-7-5-6-8-14/h9-12,14,18H,4-8H2,1-3H3
InChIKeyZXCDOGCUTMVEPZ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline (CID 43284607) is N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline is CCNC(C)c1ccc(N(C)C2CCCC2)c(F)c1.
What is the InChIKey of N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
The InChIKey is ZXCDOGCUTMVEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-18-12(2)13-9-10-16(15(17)11-13)19(3)14-7-5-6-8-14/h9-12,14,18H,4-8H2,1-3H3.
What are the key properties of N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 43284607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).