[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol

C11H13BrClNO — CID 104931669

IUPAC[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol
SMILESOCC1CN(Cc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C11H13BrClNO/c12-11-3-10(13)2-1-9(11)6-14-4-8(5-14)7-15/h1-3,8,15H,4-7H2
InChIKeyOSOLYIZNBAFQCZ-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.53
Rot. Bonds3

About [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol

[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol (PubChem CID 104931669) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol
PubChem CID104931669
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol
SMILESOCC1CN(Cc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C11H13BrClNO/c12-11-3-10(13)2-1-9(11)6-14-4-8(5-14)7-15/h1-3,8,15H,4-7H2
InChIKeyOSOLYIZNBAFQCZ-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432
3-(bromomethyl)-1-[(2,4-dichlorophenyl)methyl]azetidine
CID 130531229
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 81497827
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol
CID 18672299

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol?
The IUPAC name of [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol (CID 104931669) is [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol is OCC1CN(Cc2ccc(Cl)cc2Br)C1.
What is the InChIKey of [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol?
The InChIKey is OSOLYIZNBAFQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-11-3-10(13)2-1-9(11)6-14-4-8(5-14)7-15/h1-3,8,15H,4-7H2.
What are the key properties of [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol?
[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol has a molecular weight of 290.59 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol is sourced from PubChem (CID 104931669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).