2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol

C15H23FN2O — CID 54994918

IUPAC2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1cc(F)ccc1N(CCO)C1CC1
InChIInChI=1S/C15H23FN2O/c1-2-7-17-11-12-10-13(16)3-6-15(12)18(8-9-19)14-4-5-14/h3,6,10,14,17,19H,2,4-5,7-9,11H2,1H3
InChIKeyDYFJEKREGPMPND-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.29
Rot. Bonds8

About 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol

2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol (PubChem CID 54994918) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
PubChem CID54994918
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1cc(F)ccc1N(CCO)C1CC1
InChIInChI=1S/C15H23FN2O/c1-2-7-17-11-12-10-13(16)3-6-15(12)18(8-9-19)14-4-5-14/h3,6,10,14,17,19H,2,4-5,7-9,11H2,1H3
InChIKeyDYFJEKREGPMPND-UHFFFAOYSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol 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-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol
CID 114849856
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
2-[N-butyl-2-(ethylaminomethyl)-4-fluoroanilino]ethanol
CID 61447090
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
4-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849913
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol (CID 54994918) is 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol is CCCNCc1cc(F)ccc1N(CCO)C1CC1.
What is the InChIKey of 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol?
The InChIKey is DYFJEKREGPMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-7-17-11-12-10-13(16)3-6-15(12)18(8-9-19)14-4-5-14/h3,6,10,14,17,19H,2,4-5,7-9,11H2,1H3.
What are the key properties of 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol?
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol is sourced from PubChem (CID 54994918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).