1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine

C15H22BrNO2 — CID 103559107

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOc1ccc(Br)cc1CC(N)CC1(OC)CCC1
InChIInChI=1S/C15H22BrNO2/c1-18-14-5-4-12(16)8-11(14)9-13(17)10-15(19-2)6-3-7-15/h4-5,8,13H,3,6-7,9-10,17H2,1-2H3
InChIKeyKPKPXCPSLHHHCR-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.29
Rot. Bonds6

About 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 103559107) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID103559107
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOc1ccc(Br)cc1CC(N)CC1(OC)CCC1
InChIInChI=1S/C15H22BrNO2/c1-18-14-5-4-12(16)8-11(14)9-13(17)10-15(19-2)6-3-7-15/h4-5,8,13H,3,6-7,9-10,17H2,1-2H3
InChIKeyKPKPXCPSLHHHCR-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 103559132
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092611
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107188007
1-(5-bromo-2-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115817102
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115816983
1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559180

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine (CID 103559107) is 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine is COc1ccc(Br)cc1CC(N)CC1(OC)CCC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is KPKPXCPSLHHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-18-14-5-4-12(16)8-11(14)9-13(17)10-15(19-2)6-3-7-15/h4-5,8,13H,3,6-7,9-10,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103559107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).