1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

C13H14BrNO — CID 43481001

IUPAC1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1)c1occc1C
InChIInChI=1S/C13H14BrNO/c1-9-7-8-16-13(9)12(15-2)10-3-5-11(14)6-4-10/h3-8,12,15H,1-2H3
InChIKeyRVTNBITXFXTAGW-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.66
Rot. Bonds3

About 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 43481001) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID43481001
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1)c1occc1C
InChIInChI=1S/C13H14BrNO/c1-9-7-8-16-13(9)12(15-2)10-3-5-11(14)6-4-10/h3-8,12,15H,1-2H3
InChIKeyRVTNBITXFXTAGW-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine
CID 104804839
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 115483955
1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43483704
1-(4-bromophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482469
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 113455239
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43486324

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 43481001) is 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CNC(c1ccc(Br)cc1)c1occc1C.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is RVTNBITXFXTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9-7-8-16-13(9)12(15-2)10-3-5-11(14)6-4-10/h3-8,12,15H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 280.17 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 43481001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).