1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine

C14H16BrNO2 — CID 62451768

IUPAC1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(COc2ccccc2Br)cc1C
InChIInChI=1S/C14H16BrNO2/c1-10-7-11(18-14(10)8-16-2)9-17-13-6-4-3-5-12(13)15/h3-7,16H,8-9H2,1-2H3
InChIKeyVAQBTSWGOZPOFM-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.65
Rot. Bonds5

About 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine

1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62451768) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62451768
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(COc2ccccc2Br)cc1C
InChIInChI=1S/C14H16BrNO2/c1-10-7-11(18-14(10)8-16-2)9-17-13-6-4-3-5-12(13)15/h3-7,16H,8-9H2,1-2H3
InChIKeyVAQBTSWGOZPOFM-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
N-[[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63492504
1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62450823
1-[5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 63272857
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 115402794
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
1-[5-[(3-ethylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451776
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453088
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454694
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63497884
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (CID 62451768) is 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is CNCc1oc(COc2ccccc2Br)cc1C.
What is the InChIKey of 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is VAQBTSWGOZPOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10-7-11(18-14(10)8-16-2)9-17-13-6-4-3-5-12(13)15/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62451768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).