1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

C14H16BrNO2 — CID 62454585

IUPAC1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C14H16BrNO2/c1-10-11(7-14(18-10)8-16-2)9-17-13-5-3-12(15)4-6-13/h3-7,16H,8-9H2,1-2H3
InChIKeyHIZFCZDNQKEHID-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.65
Rot. Bonds5

About 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62454585) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62454585
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C14H16BrNO2/c1-10-11(7-14(18-10)8-16-2)9-17-13-5-3-12(15)4-6-13/h3-7,16H,8-9H2,1-2H3
InChIKeyHIZFCZDNQKEHID-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-[4-[(4-bromophenoxy)methyl]-5-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-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 55246356
1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62486591
1-[4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728966
1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 107661115
N-[[4-[(4-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62453033
N-[[4-[(3-bromophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498051
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55077983
1-[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 81326004
4-[(4-bromophenoxy)methyl]-3-methylbenzonitrile
CID 114481475
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (CID 62454585) is 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is CNCc1cc(COc2ccc(Br)cc2)c(C)o1.
What is the InChIKey of 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is HIZFCZDNQKEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10-11(7-14(18-10)8-16-2)9-17-13-5-3-12(15)4-6-13/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
1-[4-[(4-bromophenoxy)methyl]-5-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-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62454585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).