1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine

C12H11BrFNO — CID 63941458

IUPAC1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1occc1Br
InChIInChI=1S/C12H11BrFNO/c1-15-11(12-10(13)5-6-16-12)8-3-2-4-9(14)7-8/h2-7,11,15H,1H3
InChIKeyIEJMAFOSJQWBAT-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 63941458) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID63941458
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1occc1Br
InChIInChI=1S/C12H11BrFNO/c1-15-11(12-10(13)5-6-16-12)8-3-2-4-9(14)7-8/h2-7,11,15H,1H3
InChIKeyIEJMAFOSJQWBAT-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 63943412
(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115791802
1-(3-bromofuran-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755358
1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
CID 114894776
[(3-fluorophenyl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269411
1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43479966
N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
CID 63943224
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 63941458) is 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is IEJMAFOSJQWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-15-11(12-10(13)5-6-16-12)8-3-2-4-9(14)7-8/h2-7,11,15H,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 284.13 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63941458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).