N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline

C15H23BrN2O — CID 115207465

IUPACN-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)CC1CNC1
InChIInChI=1S/C15H23BrN2O/c1-9-10(2)15(19-5)14(11(3)13(9)16)18(4)8-12-6-17-7-12/h12,17H,6-8H2,1-5H3
InChIKeyFPZLKWHXYYYSIK-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.04
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline

N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline (PubChem CID 115207465) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline
PubChem CID115207465
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)CC1CNC1
InChIInChI=1S/C15H23BrN2O/c1-9-10(2)15(19-5)14(11(3)13(9)16)18(4)8-12-6-17-7-12/h12,17H,6-8H2,1-5H3
InChIKeyFPZLKWHXYYYSIK-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxy-N,3,4,6-tetramethylanilino)acetaldehyde
CID 115222859
5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260712
2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208742
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
CID 115170804
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138956
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116926550
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
CID 115207468
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040697

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline (CID 115207465) is N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline is COc1c(C)c(C)c(Br)c(C)c1N(C)CC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline?
The InChIKey is FPZLKWHXYYYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-9-10(2)15(19-5)14(11(3)13(9)16)18(4)8-12-6-17-7-12/h12,17H,6-8H2,1-5H3.
What are the key properties of N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline?
N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline has a molecular weight of 327.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline is sourced from PubChem (CID 115207465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).