3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline

C17H29FN2 — CID 106532666

IUPAC3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1cc(F)cc(CNCC)c1)C(C)C
InChIInChI=1S/C17H29FN2/c1-5-7-8-9-20(14(3)4)17-11-15(13-19-6-2)10-16(18)12-17/h10-12,14,19H,5-9,13H2,1-4H3
InChIKeyXOLZHOYYAUHUFU-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.34
Rot. Bonds9

About 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline

3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline (PubChem CID 106532666) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
PubChem CID106532666
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1cc(F)cc(CNCC)c1)C(C)C
InChIInChI=1S/C17H29FN2/c1-5-7-8-9-20(14(3)4)17-11-15(13-19-6-2)10-16(18)12-17/h10-12,14,19H,5-9,13H2,1-4H3
InChIKeyXOLZHOYYAUHUFU-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline 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

4-(ethylaminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 63553234
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 106530897
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 106532961
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 106532513
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
4-(bromomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 107081894
4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 55148129
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
N-[(3-fluoro-5-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 106534100

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
The IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline (CID 106532666) is 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline.
What is the SMILES notation for 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
The canonical SMILES for 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline is CCCCCN(c1cc(F)cc(CNCC)c1)C(C)C.
What is the InChIKey of 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
The InChIKey is XOLZHOYYAUHUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-7-8-9-20(14(3)4)17-11-15(13-19-6-2)10-16(18)12-17/h10-12,14,19H,5-9,13H2,1-4H3.
What are the key properties of 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline has a molecular weight of 280.43 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline is sourced from PubChem (CID 106532666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).