N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine

C14H20BrNO — CID 115673745

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2ccc(OC)c(Br)c2)CCC1
InChIInChI=1S/C14H20BrNO/c1-3-14(7-4-8-14)16-10-11-5-6-13(17-2)12(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyLEUFUHORNWEGBN-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.88
Rot. Bonds5

About N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine

N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine (PubChem CID 115673745) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
PubChem CID115673745
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2ccc(OC)c(Br)c2)CCC1
InChIInChI=1S/C14H20BrNO/c1-3-14(7-4-8-14)16-10-11-5-6-13(17-2)12(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyLEUFUHORNWEGBN-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 105401701
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
1-(3-bromo-4-methoxyphenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455659
4-[[(1-ethylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978682
N'-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 113410172
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
N-[(3-bromo-4-methoxyphenyl)methyl]-2-chloroethanamine
CID 65026221
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine (CID 115673745) is N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine is CCC1(NCc2ccc(OC)c(Br)c2)CCC1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine?
The InChIKey is LEUFUHORNWEGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-14(7-4-8-14)16-10-11-5-6-13(17-2)12(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 115673745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).