1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine

C14H15BrFNO — CID 114248992

IUPAC1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)o1)c1c(F)cccc1Br
InChIInChI=1S/C14H15BrFNO/c1-8-7-12(18-9(8)2)14(17-3)13-10(15)5-4-6-11(13)16/h4-7,14,17H,1-3H3
InChIKeyDKBUWLFADZCECQ-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine

1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine (PubChem CID 114248992) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
PubChem CID114248992
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)o1)c1c(F)cccc1Br
InChIInChI=1S/C14H15BrFNO/c1-8-7-12(18-9(8)2)14(17-3)13-10(15)5-4-6-11(13)16/h4-7,14,17H,1-3H3
InChIKeyDKBUWLFADZCECQ-UHFFFAOYSA-N
XLogP4.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 114559081
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 114559095
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114558866
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 114887024
1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
CID 114249068
[(2-bromo-6-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105280555
1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114886934
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 114560632
1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 114249001

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine (CID 114248992) is 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(C)o1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
The InChIKey is DKBUWLFADZCECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-8-7-12(18-9(8)2)14(17-3)13-10(15)5-4-6-11(13)16/h4-7,14,17H,1-3H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine has a molecular weight of 312.18 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114248992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).