1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol

C14H23FN2O — CID 60710845

IUPAC1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-3-17(4-2)11-13(18)10-16-9-12-7-5-6-8-14(12)15/h5-8,13,16,18H,3-4,9-11H2,1-2H3
InChIKeyUAHIKBNKUZYRLL-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.62
Rot. Bonds8

About 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol

1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol (PubChem CID 60710845) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
PubChem CID60710845
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-3-17(4-2)11-13(18)10-16-9-12-7-5-6-8-14(12)15/h5-8,13,16,18H,3-4,9-11H2,1-2H3
InChIKeyUAHIKBNKUZYRLL-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
1-(diethylamino)-3-[4-[[(2-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45177902
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
CID 122660658
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol (CID 60710845) is 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol is CCN(CC)CC(O)CNCc1ccccc1F.
What is the InChIKey of 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is UAHIKBNKUZYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-17(4-2)11-13(18)10-16-9-12-7-5-6-8-14(12)15/h5-8,13,16,18H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol?
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 254.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 60710845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).