N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine

C17H26BrNO2 — CID 103274444

IUPACN-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OC2(CCNC(C)(C)C)CCC2)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-16(2,3)19-11-10-17(8-5-9-17)21-15-7-6-13(20-4)12-14(15)18/h6-7,12,19H,5,8-11H2,1-4H3
InChIKeyTWDNEIPZOCXFSS-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.54
Rot. Bonds6

About N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine

N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine (PubChem CID 103274444) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
PubChem CID103274444
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OC2(CCNC(C)(C)C)CCC2)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-16(2,3)19-11-10-17(8-5-9-17)21-15-7-6-13(20-4)12-14(15)18/h6-7,12,19H,5,8-11H2,1-4H3
InChIKeyTWDNEIPZOCXFSS-UHFFFAOYSA-N
XLogP4.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103273548
2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
CID 103274245
N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274125
2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273515
2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
CID 103273382
2-methyl-N-[2-[1-[(2-methyl-3-pyridinyl)oxy]cyclobutyl]ethyl]propan-2-amine
CID 103274267
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274410
2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103274512
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine (CID 103274444) is N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine is COc1ccc(OC2(CCNC(C)(C)C)CCC2)c(Br)c1.
What is the InChIKey of N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is TWDNEIPZOCXFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-16(2,3)19-11-10-17(8-5-9-17)21-15-7-6-13(20-4)12-14(15)18/h6-7,12,19H,5,8-11H2,1-4H3.
What are the key properties of N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103274444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).