1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine

C11H15BrN2 — CID 116950844

IUPAC1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)C1CNC1
InChIInChI=1S/C11H15BrN2/c1-13-11(8-6-14-7-8)9-4-2-3-5-10(9)12/h2-5,8,11,13-14H,6-7H2,1H3
InChIKeyIVGSLHDPPPUNBP-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.93
Rot. Bonds3

About 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine

1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine (PubChem CID 116950844) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine
PubChem CID116950844
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)C1CNC1
InChIInChI=1S/C11H15BrN2/c1-13-11(8-6-14-7-8)9-4-2-3-5-10(9)12/h2-5,8,11,13-14H,6-7H2,1H3
InChIKeyIVGSLHDPPPUNBP-UHFFFAOYSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 116950709
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 114981468
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79747890
4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937274
1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892754
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951034
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine (CID 116950844) is 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine is CNC(c1ccccc1Br)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine?
The InChIKey is IVGSLHDPPPUNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-13-11(8-6-14-7-8)9-4-2-3-5-10(9)12/h2-5,8,11,13-14H,6-7H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine?
1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine has a molecular weight of 255.16 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 116950844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).