4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol

C14H21FN2O — CID 107918553

IUPAC4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol
SMILESCCN(CCNCc1ccc(O)c(F)c1)C1CC1
InChIInChI=1S/C14H21FN2O/c1-2-17(12-4-5-12)8-7-16-10-11-3-6-14(18)13(15)9-11/h3,6,9,12,16,18H,2,4-5,7-8,10H2,1H3
InChIKeyHCEGGWUUAOGBBX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.11
Rot. Bonds7

About 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol

4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol (PubChem CID 107918553) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol
PubChem CID107918553
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol
SMILESCCN(CCNCc1ccc(O)c(F)c1)C1CC1
InChIInChI=1S/C14H21FN2O/c1-2-17(12-4-5-12)8-7-16-10-11-3-6-14(18)13(15)9-11/h3,6,9,12,16,18H,2,4-5,7-8,10H2,1H3
InChIKeyHCEGGWUUAOGBBX-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol 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'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 103637921
N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637908
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62975741
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide
CID 107685979
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
CID 113257663
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
CID 107685855
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637935

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol (CID 107918553) is 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol is CCN(CCNCc1ccc(O)c(F)c1)C1CC1.
What is the InChIKey of 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol?
The InChIKey is HCEGGWUUAOGBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-17(12-4-5-12)8-7-16-10-11-3-6-14(18)13(15)9-11/h3,6,9,12,16,18H,2,4-5,7-8,10H2,1H3.
What are the key properties of 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol?
4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol has a molecular weight of 252.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol is sourced from PubChem (CID 107918553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).