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

C16H27FN2O — CID 63009989

IUPAC3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1c(F)cccc1N(C)CCCOC
InChIInChI=1S/C16H27FN2O/c1-5-10-18-13(2)16-14(17)8-6-9-15(16)19(3)11-7-12-20-4/h6,8-9,13,18H,5,7,10-12H2,1-4H3
InChIKeyBELFMTXOXNXSES-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.36
Rot. Bonds9

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

3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline (PubChem CID 63009989) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
PubChem CID63009989
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1c(F)cccc1N(C)CCCOC
InChIInChI=1S/C16H27FN2O/c1-5-10-18-13(2)16-14(17)8-6-9-15(16)19(3)11-7-12-20-4/h6,8-9,13,18H,5,7,10-12H2,1-4H3
InChIKeyBELFMTXOXNXSES-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
CID 61446087
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol
CID 107200509
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline (CID 63009989) is 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1c(F)cccc1N(C)CCCOC.
What is the InChIKey of 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline?
The InChIKey is BELFMTXOXNXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-5-10-18-13(2)16-14(17)8-6-9-15(16)19(3)11-7-12-20-4/h6,8-9,13,18H,5,7,10-12H2,1-4H3.
What are the key properties of 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline?
3-fluoro-N-(3-methoxypropyl)-N-methyl-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 3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 63009989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).