2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol

C15H25FN2O — CID 82313119

IUPAC2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
SMILESCCN(CC)CCNC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-4-18(5-2)11-10-17-12(3)15(19)13-6-8-14(16)9-7-13/h6-9,12,15,17,19H,4-5,10-11H2,1-3H3
InChIKeyCIFONJHESAUZSW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.18
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol

2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol (PubChem CID 82313119) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
PubChem CID82313119
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
SMILESCCN(CC)CCNC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-4-18(5-2)11-10-17-12(3)15(19)13-6-8-14(16)9-7-13/h6-9,12,15,17,19H,4-5,10-11H2,1-3H3
InChIKeyCIFONJHESAUZSW-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol
CID 82312387
1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one
CID 110177830
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635712
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 111422085
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol (CID 82313119) is 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol is CCN(CC)CCNC(C)C(O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is CIFONJHESAUZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-4-18(5-2)11-10-17-12(3)15(19)13-6-8-14(16)9-7-13/h6-9,12,15,17,19H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol?
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 82313119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).