3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine

C14H20BrNO — CID 115403052

IUPAC3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(Br)cc2C(C)C)C1
InChIInChI=1S/C14H20BrNO/c1-9(2)13-6-10(15)4-5-14(13)17-12-7-11(8-12)16-3/h4-6,9,11-12,16H,7-8H2,1-3H3
InChIKeyJWTZCWPIUYHECD-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.70
Rot. Bonds4

About 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine

3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 115403052) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
PubChem CID115403052
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(Br)cc2C(C)C)C1
InChIInChI=1S/C14H20BrNO/c1-9(2)13-6-10(15)4-5-14(13)17-12-7-11(8-12)16-3/h4-6,9,11-12,16H,7-8H2,1-3H3
InChIKeyJWTZCWPIUYHECD-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine
CID 115403047
3-(4-bromo-2-methylphenoxy)-N-methylcyclobutan-1-amine
CID 66350042
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine
CID 66351327
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 115403053
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
4-bromo-1-(3-chloro-2-propoxycyclobutyl)oxy-2-propan-2-ylbenzene
CID 107943053
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine (CID 115403052) is 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2ccc(Br)cc2C(C)C)C1.
What is the InChIKey of 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is JWTZCWPIUYHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9(2)13-6-10(15)4-5-14(13)17-12-7-11(8-12)16-3/h4-6,9,11-12,16H,7-8H2,1-3H3.
What are the key properties of 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine?
3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 115403052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).