1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine

C14H15ClFNO — CID 114249068

IUPAC1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1cc(C)c(C)o1
InChIInChI=1S/C14H15ClFNO/c1-8-6-13(18-9(8)2)14(17-3)10-4-5-11(15)12(16)7-10/h4-7,14,17H,1-3H3
InChIKeyRJYKAOLSGKNFCD-UHFFFAOYSA-N
MW267.73 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine

1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine (PubChem CID 114249068) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
PubChem CID114249068
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1cc(C)c(C)o1
InChIInChI=1S/C14H15ClFNO/c1-8-6-13(18-9(8)2)14(17-3)10-4-5-11(15)12(16)7-10/h4-7,14,17H,1-3H3
InChIKeyRJYKAOLSGKNFCD-UHFFFAOYSA-N
XLogP4.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
methyl 5-[(4-chloro-3-fluorophenyl)-(methylamino)methyl]furan-2-carboxylate
CID 107998878
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998838
1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 107992337
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine (CID 114249068) is 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)c(F)c1)c1cc(C)c(C)o1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
The InChIKey is RJYKAOLSGKNFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-8-6-13(18-9(8)2)14(17-3)10-4-5-11(15)12(16)7-10/h4-7,14,17H,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine?
1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine has a molecular weight of 267.73 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114249068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).