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

C13H20BrNO — CID 117461457

IUPAC2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine
SMILESCOc1c(Br)cc(C(C)C)cc1C(C)(C)N
InChIInChI=1S/C13H20BrNO/c1-8(2)9-6-10(13(3,4)15)12(16-5)11(14)7-9/h6-8H,15H2,1-5H3
InChIKeyLDCBCSLORNOSTH-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.77
Rot. Bonds3

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

2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine (PubChem CID 117461457) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine
PubChem CID117461457
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine
SMILESCOc1c(Br)cc(C(C)C)cc1C(C)(C)N
InChIInChI=1S/C13H20BrNO/c1-8(2)9-6-10(13(3,4)15)12(16-5)11(14)7-9/h6-8H,15H2,1-5H3
InChIKeyLDCBCSLORNOSTH-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812944
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
CID 117465358
1-bromo-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
CID 23352453
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432460
2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
CID 117327992
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine (CID 117461457) is 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine is COc1c(Br)cc(C(C)C)cc1C(C)(C)N.
What is the InChIKey of 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine?
The InChIKey is LDCBCSLORNOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-8(2)9-6-10(13(3,4)15)12(16-5)11(14)7-9/h6-8H,15H2,1-5H3.
What are the key properties of 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine?
2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 117461457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).