2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol

C15H24BrFN2O — CID 82973754

IUPAC2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1cc(Br)ccc1F
InChIInChI=1S/C15H24BrFN2O/c1-4-19(5-2)9-8-18-15(3,11-20)13-10-12(16)6-7-14(13)17/h6-7,10,18,20H,4-5,8-9,11H2,1-3H3
InChIKeyGZAYSZJGLMQNHI-UHFFFAOYSA-N
MW347.27 g/mol
LogP2.73
Rot. Bonds8

About 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol

2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol (PubChem CID 82973754) has the molecular formula C15H24BrFN2O and a molecular weight of 347.27 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
PubChem CID82973754
Molecular FormulaC15H24BrFN2O
Molecular Weight347.27 g/mol
Exact Mass346.11
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1cc(Br)ccc1F
InChIInChI=1S/C15H24BrFN2O/c1-4-19(5-2)9-8-18-15(3,11-20)13-10-12(16)6-7-14(13)17/h6-7,10,18,20H,4-5,8-9,11H2,1-3H3
InChIKeyGZAYSZJGLMQNHI-UHFFFAOYSA-N
XLogP2.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
CID 82953788
2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 61048823
2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
CID 61049819
2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanenitrile
CID 82967784
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 107332770
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
N-[2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-chloroacetamide
CID 66665738

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol (CID 82973754) is 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol is CCN(CC)CCNC(C)(CO)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
The InChIKey is GZAYSZJGLMQNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFN2O/c1-4-19(5-2)9-8-18-15(3,11-20)13-10-12(16)6-7-14(13)17/h6-7,10,18,20H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol?
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol has a molecular weight of 347.27 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol is sourced from PubChem (CID 82973754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).