2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine

C12H18BrNO2 — CID 117465245

IUPAC2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cc(OC)c(Br)cc1C(C)CN
InChIInChI=1S/C12H18BrNO2/c1-8(6-14)10-5-11(13)12(16-3)4-9(10)7-15-2/h4-5,8H,6-7,14H2,1-3H3
InChIKeyRMHVCAKAWSAVON-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.67
Rot. Bonds5

About 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine

2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine (PubChem CID 117465245) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
PubChem CID117465245
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cc(OC)c(Br)cc1C(C)CN
InChIInChI=1S/C12H18BrNO2/c1-8(6-14)10-5-11(13)12(16-3)4-9(10)7-15-2/h4-5,8H,6-7,14H2,1-3H3
InChIKeyRMHVCAKAWSAVON-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117353545
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
CID 117441898
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
CID 79415829
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine (CID 117465245) is 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine is COCc1cc(OC)c(Br)cc1C(C)CN.
What is the InChIKey of 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine?
The InChIKey is RMHVCAKAWSAVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-8(6-14)10-5-11(13)12(16-3)4-9(10)7-15-2/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine?
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine has a molecular weight of 288.19 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117465245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).