2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine

C16H25BrN2 — CID 115246309

IUPAC2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
SMILESCNCC1(CN(C)CCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H25BrN2/c1-18-12-16(9-3-10-16)13-19(2)11-8-14-4-6-15(17)7-5-14/h4-7,18H,3,8-13H2,1-2H3
InChIKeyQOFMHFSDTMLHPE-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine

2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine (PubChem CID 115246309) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
PubChem CID115246309
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
SMILESCNCC1(CN(C)CCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H25BrN2/c1-18-12-16(9-3-10-16)13-19(2)11-8-14-4-6-15(17)7-5-14/h4-7,18H,3,8-13H2,1-2H3
InChIKeyQOFMHFSDTMLHPE-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine
CID 62257036
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244934
3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272142
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
2-(3-fluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244944
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246231
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120899800
2-cyclohexyl-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246324
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine (CID 115246309) is 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine is CNCC1(CN(C)CCc2ccc(Br)cc2)CCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine?
The InChIKey is QOFMHFSDTMLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-18-12-16(9-3-10-16)13-19(2)11-8-14-4-6-15(17)7-5-14/h4-7,18H,3,8-13H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine?
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 115246309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).