5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

C14H21BrN2O — CID 115246032

IUPAC5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CNc2cc(Br)ccc2OC)CCC1
InChIInChI=1S/C14H21BrN2O/c1-16-9-14(6-3-7-14)10-17-12-8-11(15)4-5-13(12)18-2/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyQBBTXPJGAZAXPO-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.26
Rot. Bonds6

About 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (PubChem CID 115246032) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
PubChem CID115246032
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CNc2cc(Br)ccc2OC)CCC1
InChIInChI=1S/C14H21BrN2O/c1-16-9-14(6-3-7-14)10-17-12-8-11(15)4-5-13(12)18-2/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyQBBTXPJGAZAXPO-UHFFFAOYSA-N
XLogP3.26
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686
1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718338
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244554
4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
CID 115246053
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474
5-bromo-N-(2,2-dimethoxyethyl)-2-methoxyaniline
CID 63697779
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (CID 115246032) is 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is CNCC1(CNc2cc(Br)ccc2OC)CCC1.
What is the InChIKey of 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The InChIKey is QBBTXPJGAZAXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16-9-14(6-3-7-14)10-17-12-8-11(15)4-5-13(12)18-2/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline has a molecular weight of 313.24 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is sourced from PubChem (CID 115246032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).