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

C15H22BrNO — CID 115403047

IUPAC3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)cc2C(C)C)C1
InChIInChI=1S/C15H22BrNO/c1-4-17-12-8-13(9-12)18-15-6-5-11(16)7-14(15)10(2)3/h5-7,10,12-13,17H,4,8-9H2,1-3H3
InChIKeyDGZNSKBZJAPRKC-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.09
Rot. Bonds5

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

3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine (PubChem CID 115403047) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine
PubChem CID115403047
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)cc2C(C)C)C1
InChIInChI=1S/C15H22BrNO/c1-4-17-12-8-13(9-12)18-15-6-5-11(16)7-14(15)10(2)3/h5-7,10,12-13,17H,4,8-9H2,1-3H3
InChIKeyDGZNSKBZJAPRKC-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
CID 115403052
3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine
CID 66357735
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine
CID 107662318
3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 115403053
N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618563
4-bromo-1-(3-chloro-2-propoxycyclobutyl)oxy-2-propan-2-ylbenzene
CID 107943053
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037
3-(4-bromo-2-methylphenoxy)-N-methylcyclobutan-1-amine
CID 66350042
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-ethoxycyclobutan-1-amine
CID 103917713
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
3-(2-bromo-5-nitrophenoxy)-N-ethylcyclobutan-1-amine
CID 103013152

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine (CID 115403047) is 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine is CCNC1CC(Oc2ccc(Br)cc2C(C)C)C1.
What is the InChIKey of 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine?
The InChIKey is DGZNSKBZJAPRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-17-12-8-13(9-12)18-15-6-5-11(16)7-14(15)10(2)3/h5-7,10,12-13,17H,4,8-9H2,1-3H3.
What are the key properties of 3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine?
3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 4.09, 5 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-ethylcyclobutan-1-amine is sourced from PubChem (CID 115403047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).