N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine

C12H11BrFNO — CID 43123260

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccc(Br)o2)c1
InChIInChI=1S/C12H11BrFNO/c13-12-5-4-11(16-12)8-15-7-9-2-1-3-10(14)6-9/h1-6,15H,7-8H2
InChIKeyXBGQYLPFONMREO-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.47
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine

N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 43123260) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID43123260
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccc(Br)o2)c1
InChIInChI=1S/C12H11BrFNO/c13-12-5-4-11(16-12)8-15-7-9-2-1-3-10(14)6-9/h1-6,15H,7-8H2
InChIKeyXBGQYLPFONMREO-UHFFFAOYSA-N
XLogP3.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
CID 62222221
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
1-(1,3-benzodioxol-5-yl)-N-[(5-bromofuran-2-yl)methyl]methanamine
CID 28649829
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea
CID 108873105
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62369252

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine (CID 43123260) is N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2ccc(Br)o2)c1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is XBGQYLPFONMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c13-12-5-4-11(16-12)8-15-7-9-2-1-3-10(14)6-9/h1-6,15H,7-8H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 284.13 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 43123260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).