N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine

C13H17Br2N — CID 60781645

IUPACN-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCC1CCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2N/c1-9(16-8-10-3-2-4-10)12-6-5-11(14)7-13(12)15/h5-7,9-10,16H,2-4,8H2,1H3
InChIKeyHXUGTJAUOMDYNP-UHFFFAOYSA-N
MW347.09 g/mol
LogP4.66
Rot. Bonds4

About N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine

N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine (PubChem CID 60781645) has the molecular formula C13H17Br2N and a molecular weight of 347.09 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
PubChem CID60781645
Molecular FormulaC13H17Br2N
Molecular Weight347.09 g/mol
Exact Mass344.97
IUPAC NameN-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCC1CCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2N/c1-9(16-8-10-3-2-4-10)12-6-5-11(14)7-13(12)15/h5-7,9-10,16H,2-4,8H2,1H3
InChIKeyHXUGTJAUOMDYNP-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine (CID 60781645) is N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine is CC(NCC1CCC1)c1ccc(Br)cc1Br.
What is the InChIKey of N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is HXUGTJAUOMDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N/c1-9(16-8-10-3-2-4-10)12-6-5-11(14)7-13(12)15/h5-7,9-10,16H,2-4,8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine?
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine has a molecular weight of 347.09 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 60781645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).