N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine

C13H18BrNO — CID 115666053

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
SMILESCN(CCOc1ccc(Br)cc1)C1CCC1
InChIInChI=1S/C13H18BrNO/c1-15(12-3-2-4-12)9-10-16-13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyNZWDUCJEGDHEGU-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine

N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine (PubChem CID 115666053) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
PubChem CID115666053
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
SMILESCN(CCOc1ccc(Br)cc1)C1CCC1
InChIInChI=1S/C13H18BrNO/c1-15(12-3-2-4-12)9-10-16-13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyNZWDUCJEGDHEGU-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 55182790
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 43288697
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102684243
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine (CID 115666053) is N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine is CN(CCOc1ccc(Br)cc1)C1CCC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine?
The InChIKey is NZWDUCJEGDHEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-15(12-3-2-4-12)9-10-16-13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine?
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine has a molecular weight of 284.20 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine is sourced from PubChem (CID 115666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).