1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine

C11H15BrFNO — CID 80696097

IUPAC1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCF)c(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-8(14)6-9-2-3-11(10(12)7-9)15-5-4-13/h2-3,7-8H,4-6,14H2,1H3
InChIKeyVENVWPZEKWKIIJ-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.69
Rot. Bonds5

About 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine

1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine (PubChem CID 80696097) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
PubChem CID80696097
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCF)c(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-8(14)6-9-2-3-11(10(12)7-9)15-5-4-13/h2-3,7-8H,4-6,14H2,1H3
InChIKeyVENVWPZEKWKIIJ-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668
6-[4-(2-aminopropyl)-2-bromophenoxy]-2,2-dimethylhexanenitrile
CID 106713619
1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63422291
1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480
2-[4-(2-aminopropyl)-2-bromophenoxy]propanoic acid
CID 63051846
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 106868969
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63052526

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine (CID 80696097) is 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCCF)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine?
The InChIKey is VENVWPZEKWKIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-8(14)6-9-2-3-11(10(12)7-9)15-5-4-13/h2-3,7-8H,4-6,14H2,1H3.
What are the key properties of 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine?
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine has a molecular weight of 276.15 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 80696097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).