1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

C13H14BrNO — CID 115652969

IUPAC1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1ccccc1Br
InChIInChI=1S/C13H14BrNO/c1-10-6-7-16-13(10)9-15-8-11-4-2-3-5-12(11)14/h2-7,15H,8-9H2,1H3
InChIKeyDWCBWOJLAFMIIO-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 115652969) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID115652969
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1ccccc1Br
InChIInChI=1S/C13H14BrNO/c1-10-6-7-16-13(10)9-15-8-11-4-2-3-5-12(11)14/h2-7,15H,8-9H2,1H3
InChIKeyDWCBWOJLAFMIIO-UHFFFAOYSA-N
XLogP3.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651180
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 115651503
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82825719
N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine
CID 114075412
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 107598583
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651182
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 115652969) is 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is Cc1ccoc1CNCc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is DWCBWOJLAFMIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-10-6-7-16-13(10)9-15-8-11-4-2-3-5-12(11)14/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine has a molecular weight of 280.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 115652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).