1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol

C16H26BrNO — CID 79063193

IUPAC1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-5-16(4,18(6-2)7-3)15(19)12-13-9-8-10-14(17)11-13/h8-11,15,19H,5-7,12H2,1-4H3
InChIKeyNHYPFYSMBZEBER-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.86
Rot. Bonds7

About 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol

1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol (PubChem CID 79063193) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol
PubChem CID79063193
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-5-16(4,18(6-2)7-3)15(19)12-13-9-8-10-14(17)11-13/h8-11,15,19H,5-7,12H2,1-4H3
InChIKeyNHYPFYSMBZEBER-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063697
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
1-bromo-3-ethylbenzene;methane
CID 158533972
5-(3-bromophenyl)-4-methylpentan-2-ol
CID 64719451
1-bromo-3-[2-(bromomethyl)-3,3-dimethylbutyl]benzene
CID 83142669
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063462
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
3-[(3-bromophenyl)methyl]pentan-3-ol
CID 60799504
1-bromo-3-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036761
1-(3-bromophenyl)-4-methylidenehexan-2-ol
CID 66045073

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol (CID 79063193) is 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol is CCN(CC)C(C)(CC)C(O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
The InChIKey is NHYPFYSMBZEBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-16(4,18(6-2)7-3)15(19)12-13-9-8-10-14(17)11-13/h8-11,15,19H,5-7,12H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol?
1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol has a molecular weight of 328.29 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 79063193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).