N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline

C16H25FN2 — CID 43569241

IUPACN-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
SMILESCCNC(C)c1c(F)cccc1N(C)C(C)C1CC1
InChIInChI=1S/C16H25FN2/c1-5-18-11(2)16-14(17)7-6-8-15(16)19(4)12(3)13-9-10-13/h6-8,11-13,18H,5,9-10H2,1-4H3
InChIKeyXIGGKYFISFDDFK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.73
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline

N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline (PubChem CID 43569241) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
PubChem CID43569241
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
SMILESCCNC(C)c1c(F)cccc1N(C)C(C)C1CC1
InChIInChI=1S/C16H25FN2/c1-5-18-11(2)16-14(17)7-6-8-15(16)19(4)12(3)13-9-10-13/h6-8,11-13,18H,5,9-10H2,1-4H3
InChIKeyXIGGKYFISFDDFK-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline (CID 43569241) is N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline is CCNC(C)c1c(F)cccc1N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline?
The InChIKey is XIGGKYFISFDDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-18-11(2)16-14(17)7-6-8-15(16)19(4)12(3)13-9-10-13/h6-8,11-13,18H,5,9-10H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline?
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 43569241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).