1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine

C15H22BrNO2 — CID 63953943

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1ccc(Br)cc1C(N)CCC1CCCCO1
InChIInChI=1S/C15H22BrNO2/c1-18-15-8-5-11(16)10-13(15)14(17)7-6-12-4-2-3-9-19-12/h5,8,10,12,14H,2-4,6-7,9,17H2,1H3
InChIKeyFHGARGCHJATXMT-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.81
Rot. Bonds5

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

1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 63953943) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID63953943
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1ccc(Br)cc1C(N)CCC1CCCCO1
InChIInChI=1S/C15H22BrNO2/c1-18-15-8-5-11(16)10-13(15)14(17)7-6-12-4-2-3-9-19-12/h5,8,10,12,14H,2-4,6-7,9,17H2,1H3
InChIKeyFHGARGCHJATXMT-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532
1-(5-bromo-2-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115817102
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953131
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-(5-bromo-2-ethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156172
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine (CID 63953943) is 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine is COc1ccc(Br)cc1C(N)CCC1CCCCO1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is FHGARGCHJATXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-18-15-8-5-11(16)10-13(15)14(17)7-6-12-4-2-3-9-19-12/h5,8,10,12,14H,2-4,6-7,9,17H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.81, 5 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-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63953943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).