1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol

C16H25BrFNO — CID 79063697

IUPAC1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H25BrFNO/c1-5-16(4,19(6-2)7-3)15(20)10-12-8-9-13(17)11-14(12)18/h8-9,11,15,20H,5-7,10H2,1-4H3
InChIKeyDPHFOKHKOSPBSS-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.00
Rot. Bonds7

About 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol

1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol (PubChem CID 79063697) has the molecular formula C16H25BrFNO and a molecular weight of 346.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol
PubChem CID79063697
Molecular FormulaC16H25BrFNO
Molecular Weight346.28 g/mol
Exact Mass345.11
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H25BrFNO/c1-5-16(4,19(6-2)7-3)15(20)10-12-8-9-13(17)11-14(12)18/h8-9,11,15,20H,5-7,10H2,1-4H3
InChIKeyDPHFOKHKOSPBSS-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79062858
1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063193
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
CID 65148579
3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62820301
3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
CID 79062947
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79047998
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
CID 116710912
1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053023

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol (CID 79063697) is 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol is CCN(CC)C(C)(CC)C(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
The InChIKey is DPHFOKHKOSPBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFNO/c1-5-16(4,19(6-2)7-3)15(20)10-12-8-9-13(17)11-14(12)18/h8-9,11,15,20H,5-7,10H2,1-4H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol has a molecular weight of 346.28 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 79063697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).