2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine

C11H15BrFNO — CID 117441898

IUPAC2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cc(Br)c(F)c(C(C)CN)c1
InChIInChI=1S/C11H15BrFNO/c1-7(5-14)9-3-8(6-15-2)4-10(12)11(9)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyHXZQKWDNBIYCII-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.80
Rot. Bonds4

About 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine

2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine (PubChem CID 117441898) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
PubChem CID117441898
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cc(Br)c(F)c(C(C)CN)c1
InChIInChI=1S/C11H15BrFNO/c1-7(5-14)9-3-8(6-15-2)4-10(12)11(9)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyHXZQKWDNBIYCII-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propanoic acid
CID 117491138
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]butanal
CID 117466879
2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid
CID 117471361
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255
2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117490387
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117486610

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine (CID 117441898) is 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine is COCc1cc(Br)c(F)c(C(C)CN)c1.
What is the InChIKey of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine?
The InChIKey is HXZQKWDNBIYCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(5-14)9-3-8(6-15-2)4-10(12)11(9)13/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine?
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117441898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).