1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine

C14H15BrClNO2 — CID 107998926

IUPAC1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1ccc(COC)o1
InChIInChI=1S/C14H15BrClNO2/c1-17-14(9-3-5-12(16)11(15)7-9)13-6-4-10(19-13)8-18-2/h3-7,14,17H,8H2,1-2H3
InChIKeyOMMPVDONJXFZOT-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.15
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine

1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine (PubChem CID 107998926) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
PubChem CID107998926
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1ccc(COC)o1
InChIInChI=1S/C14H15BrClNO2/c1-17-14(9-3-5-12(16)11(15)7-9)13-6-4-10(19-13)8-18-2/h3-7,14,17H,8H2,1-2H3
InChIKeyOMMPVDONJXFZOT-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 107998930
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 115567213
1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998784
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107096640
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
1-(3-bromo-4-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 114659732

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine (CID 107998926) is 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine is CNC(c1ccc(Cl)c(Br)c1)c1ccc(COC)o1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is OMMPVDONJXFZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-17-14(9-3-5-12(16)11(15)7-9)13-6-4-10(19-13)8-18-2/h3-7,14,17H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 344.64 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107998926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).