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

C15H25FN2O — CID 61049819

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-4-18(5-2)11-10-17-15(3,12-19)13-6-8-14(16)9-7-13/h6-9,17,19H,4-5,10-12H2,1-3H3
InChIKeyCPAAMMDYAYXWFW-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds8

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

2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol (PubChem CID 61049819) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
PubChem CID61049819
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-4-18(5-2)11-10-17-15(3,12-19)13-6-8-14(16)9-7-13/h6-9,17,19H,4-5,10-12H2,1-3H3
InChIKeyCPAAMMDYAYXWFW-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 61048823
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754
2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 61056755
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
CID 61048016
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol
CID 61047828
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
CID 60994645
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol (CID 61049819) is 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol is CCN(CC)CCNC(C)(CO)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is CPAAMMDYAYXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-4-18(5-2)11-10-17-15(3,12-19)13-6-8-14(16)9-7-13/h6-9,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol?
2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 1.96, 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]-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 61049819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).