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

C13H19FN2O — CID 107694443

IUPAC2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
SMILESCN(CCNCc1cc(F)ccc1O)C1CC1
InChIInChI=1S/C13H19FN2O/c1-16(12-3-4-12)7-6-15-9-10-8-11(14)2-5-13(10)17/h2,5,8,12,15,17H,3-4,6-7,9H2,1H3
InChIKeyIRVXSOYZXHIRLW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.72
Rot. Bonds6

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

2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol (PubChem CID 107694443) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
PubChem CID107694443
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
SMILESCN(CCNCc1cc(F)ccc1O)C1CC1
InChIInChI=1S/C13H19FN2O/c1-16(12-3-4-12)7-6-15-9-10-8-11(14)2-5-13(10)17/h2,5,8,12,15,17H,3-4,6-7,9H2,1H3
InChIKeyIRVXSOYZXHIRLW-UHFFFAOYSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
CID 107694453
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
4-chloro-2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol
CID 60981639
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 103948125
4-fluoro-2-[(3-methylsulfanylpropylamino)methyl]phenol
CID 103948827
4-fluoro-2-[(4-methylpentylamino)methyl]phenol
CID 103948054
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol (CID 107694443) is 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol is CN(CCNCc1cc(F)ccc1O)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol?
The InChIKey is IRVXSOYZXHIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-3-4-12)7-6-15-9-10-8-11(14)2-5-13(10)17/h2,5,8,12,15,17H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol?
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol has a molecular weight of 238.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol is sourced from PubChem (CID 107694443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).