2-[(3-aminopropylamino)methyl]-4-fluorophenol

C10H15FN2O — CID 102672647

IUPAC2-[(3-aminopropylamino)methyl]-4-fluorophenol
SMILESNCCCNCc1cc(F)ccc1O
InChIInChI=1S/C10H15FN2O/c11-9-2-3-10(14)8(6-9)7-13-5-1-4-12/h2-3,6,13-14H,1,4-5,7,12H2
InChIKeyISEWBFWWTLHLIW-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.97
Rot. Bonds5

About 2-[(3-aminopropylamino)methyl]-4-fluorophenol

2-[(3-aminopropylamino)methyl]-4-fluorophenol (PubChem CID 102672647) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-[(3-aminopropylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(3-aminopropylamino)methyl]-4-fluorophenol
PubChem CID102672647
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-[(3-aminopropylamino)methyl]-4-fluorophenol
SMILESNCCCNCc1cc(F)ccc1O
InChIInChI=1S/C10H15FN2O/c11-9-2-3-10(14)8(6-9)7-13-5-1-4-12/h2-3,6,13-14H,1,4-5,7,12H2
InChIKeyISEWBFWWTLHLIW-UHFFFAOYSA-N
XLogP0.97
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
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

4-fluoro-2-[(3-methylsulfanylpropylamino)methyl]phenol
CID 103948827
4-fluoro-2-[(4-methylpentylamino)methyl]phenol
CID 103948054
4-fluoro-2-[(4-methylsulfanylbutylamino)methyl]phenol
CID 103948804
2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703
N'-[(5-fluoro-2-nitrophenyl)methyl]propane-1,3-diamine
CID 62275208
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
4-fluoro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 91811726
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282
2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
CID 12761847
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopropylamino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(3-aminopropylamino)methyl]-4-fluorophenol (CID 102672647) is 2-[(3-aminopropylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(3-aminopropylamino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(3-aminopropylamino)methyl]-4-fluorophenol is NCCCNCc1cc(F)ccc1O.
What is the InChIKey of 2-[(3-aminopropylamino)methyl]-4-fluorophenol?
The InChIKey is ISEWBFWWTLHLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-9-2-3-10(14)8(6-9)7-13-5-1-4-12/h2-3,6,13-14H,1,4-5,7,12H2.
What are the key properties of 2-[(3-aminopropylamino)methyl]-4-fluorophenol?
2-[(3-aminopropylamino)methyl]-4-fluorophenol has a molecular weight of 198.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopropylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 102672647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).