1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine

C13H20BrNO — CID 117461403

IUPAC1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
SMILESCOc1cc(C(C)C)cc(CC(C)N)c1Br
InChIInChI=1S/C13H20BrNO/c1-8(2)10-6-11(5-9(3)15)13(14)12(7-10)16-4/h6-9H,5,15H2,1-4H3
InChIKeyAVGAKXUSOKNXOX-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine

1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine (PubChem CID 117461403) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
PubChem CID117461403
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
SMILESCOc1cc(C(C)C)cc(CC(C)N)c1Br
InChIInChI=1S/C13H20BrNO/c1-8(2)10-6-11(5-9(3)15)13(14)12(7-10)16-4/h6-9H,5,15H2,1-4H3
InChIKeyAVGAKXUSOKNXOX-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
2-amino-2-(2-bromo-3-methoxy-5-propan-2-ylphenyl)acetic acid
CID 117486474
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117480546
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine (CID 117461403) is 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine is COc1cc(C(C)C)cc(CC(C)N)c1Br.
What is the InChIKey of 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine?
The InChIKey is AVGAKXUSOKNXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-8(2)10-6-11(5-9(3)15)13(14)12(7-10)16-4/h6-9H,5,15H2,1-4H3.
What are the key properties of 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine?
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 117461403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).