[5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol

C18H21BrFNO — CID 22278019

IUPAC[5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol
SMILESCN(C)CCC(c1ccc(F)cc1)c1ccc(Br)cc1CO
InChIInChI=1S/C18H21BrFNO/c1-21(2)10-9-18(13-3-6-16(20)7-4-13)17-8-5-15(19)11-14(17)12-22/h3-8,11,18,22H,9-10,12H2,1-2H3
InChIKeyXKFWVMMYLWHVRO-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.16
Rot. Bonds6

About [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol

[5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol (PubChem CID 22278019) has the molecular formula C18H21BrFNO and a molecular weight of 366.27 g/mol. Its IUPAC name is [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol
PubChem CID22278019
Molecular FormulaC18H21BrFNO
Molecular Weight366.27 g/mol
Exact Mass365.08
IUPAC Name[5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol
SMILESCN(C)CCC(c1ccc(F)cc1)c1ccc(Br)cc1CO
InChIInChI=1S/C18H21BrFNO/c1-21(2)10-9-18(13-3-6-16(20)7-4-13)17-8-5-15(19)11-14(17)12-22/h3-8,11,18,22H,9-10,12H2,1-2H3
InChIKeyXKFWVMMYLWHVRO-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol?
The IUPAC name of [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol (CID 22278019) is [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol is CN(C)CCC(c1ccc(F)cc1)c1ccc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol?
The InChIKey is XKFWVMMYLWHVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFNO/c1-21(2)10-9-18(13-3-6-16(20)7-4-13)17-8-5-15(19)11-14(17)12-22/h3-8,11,18,22H,9-10,12H2,1-2H3.
What are the key properties of [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol?
[5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol has a molecular weight of 366.27 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]phenyl]methanol is sourced from PubChem (CID 22278019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).