N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline

C16H27FN2O — CID 61446087

IUPACN-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1c(F)cccc1N(CC)CCOC
InChIInChI=1S/C16H27FN2O/c1-5-10-18-13(3)16-14(17)8-7-9-15(16)19(6-2)11-12-20-4/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyISTWGMSWZLDPKK-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.36
Rot. Bonds9

About N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline

N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline (PubChem CID 61446087) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
PubChem CID61446087
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1c(F)cccc1N(CC)CCOC
InChIInChI=1S/C16H27FN2O/c1-5-10-18-13(3)16-14(17)8-7-9-15(16)19(6-2)11-12-20-4/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyISTWGMSWZLDPKK-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989
N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
CID 43284613
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
3-[3-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]anilino]propanenitrile
CID 63285199
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline
CID 63697582
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
3-[2-(1-aminoethyl)-3-fluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline (CID 61446087) is N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1c(F)cccc1N(CC)CCOC.
What is the InChIKey of N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline?
The InChIKey is ISTWGMSWZLDPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-5-10-18-13(3)16-14(17)8-7-9-15(16)19(6-2)11-12-20-4/h7-9,13,18H,5-6,10-12H2,1-4H3.
What are the key properties of N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline?
N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline has a molecular weight of 282.40 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 61446087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).