[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol

C14H19BrFNO — CID 116912688

IUPAC[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCN(C)C(c1cc(Br)ccc1F)C1(CO)CCC1
InChIInChI=1S/C14H19BrFNO/c1-17(2)13(14(9-18)6-3-7-14)11-8-10(15)4-5-12(11)16/h4-5,8,13,18H,3,6-7,9H2,1-2H3
InChIKeyYHOVDZYAROBCJW-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.35
Rot. Bonds4

About [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol

[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol (PubChem CID 116912688) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
PubChem CID116912688
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCN(C)C(c1cc(Br)ccc1F)C1(CO)CCC1
InChIInChI=1S/C14H19BrFNO/c1-17(2)13(14(9-18)6-3-7-14)11-8-10(15)4-5-12(11)16/h4-5,8,13,18H,3,6-7,9H2,1-2H3
InChIKeyYHOVDZYAROBCJW-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912673
[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912694
1-[1-(aminomethyl)cyclobutyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 116958816
5-(5-bromo-2-fluorophenyl)-5-(dimethylamino)pentan-2-one
CID 116910671
N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 105011844
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
1-(5-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82074034
1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944108
methyl 3-(5-bromo-2-fluorophenyl)-3-(dimethylamino)propanoate
CID 116910232
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622
1-[(2,5-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116912071

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol (CID 116912688) is [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol is CN(C)C(c1cc(Br)ccc1F)C1(CO)CCC1.
What is the InChIKey of [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The InChIKey is YHOVDZYAROBCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-17(2)13(14(9-18)6-3-7-14)11-8-10(15)4-5-12(11)16/h4-5,8,13,18H,3,6-7,9H2,1-2H3.
What are the key properties of [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol has a molecular weight of 316.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116912688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).