1-[(5-bromo-2-methoxyphenyl)methyl]azetidine

C11H14BrNO — CID 130159732

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(Br)cc1CN1CCC1
InChIInChI=1S/C11H14BrNO/c1-14-11-4-3-10(12)7-9(11)8-13-5-2-6-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyLRKDPBYADNMTIB-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.66
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine

1-[(5-bromo-2-methoxyphenyl)methyl]azetidine (PubChem CID 130159732) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
PubChem CID130159732
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(Br)cc1CN1CCC1
InChIInChI=1S/C11H14BrNO/c1-14-11-4-3-10(12)7-9(11)8-13-5-2-6-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyLRKDPBYADNMTIB-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
CID 63456682
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
ethyl 4-[(5-bromo-2-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 2846055

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine (CID 130159732) is 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine is COc1ccc(Br)cc1CN1CCC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine?
The InChIKey is LRKDPBYADNMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-11-4-3-10(12)7-9(11)8-13-5-2-6-13/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine?
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine has a molecular weight of 256.14 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]azetidine is sourced from PubChem (CID 130159732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).