2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol

C15H23FN2O — CID 104582321

IUPAC2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
SMILESCC(NCC(C)N(C)C1CC1)c1cc(F)ccc1O
InChIInChI=1S/C15H23FN2O/c1-10(18(3)13-5-6-13)9-17-11(2)14-8-12(16)4-7-15(14)19/h4,7-8,10-11,13,17,19H,5-6,9H2,1-3H3
InChIKeyMMVAVKNNJIJYOH-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.66
Rot. Bonds6

About 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol

2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol (PubChem CID 104582321) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
PubChem CID104582321
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
SMILESCC(NCC(C)N(C)C1CC1)c1cc(F)ccc1O
InChIInChI=1S/C15H23FN2O/c1-10(18(3)13-5-6-13)9-17-11(2)14-8-12(16)4-7-15(14)19/h4,7-8,10-11,13,17,19H,5-6,9H2,1-3H3
InChIKeyMMVAVKNNJIJYOH-UHFFFAOYSA-N
XLogP2.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
CID 82986196
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
CID 102696874
2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781596
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
4-fluoro-2-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]phenol
CID 104581913
2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
CID 103781637
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982074
4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 104582302
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol?
The IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol (CID 104582321) is 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol?
The canonical SMILES for 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol is CC(NCC(C)N(C)C1CC1)c1cc(F)ccc1O.
What is the InChIKey of 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol?
The InChIKey is MMVAVKNNJIJYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(18(3)13-5-6-13)9-17-11(2)14-8-12(16)4-7-15(14)19/h4,7-8,10-11,13,17,19H,5-6,9H2,1-3H3.
What are the key properties of 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol?
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol has a molecular weight of 266.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol is sourced from PubChem (CID 104582321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).