1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine

C12H10ClF2NO — CID 82783225

IUPAC1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H10ClF2NO/c1-16-12(11-3-2-4-17-11)7-5-10(15)8(13)6-9(7)14/h2-6,12,16H,1H3
InChIKeyQTDKJXBOXJKWDB-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine

1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 82783225) has the molecular formula C12H10ClF2NO and a molecular weight of 257.67 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID82783225
Molecular FormulaC12H10ClF2NO
Molecular Weight257.67 g/mol
Exact Mass257.04
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H10ClF2NO/c1-16-12(11-3-2-4-17-11)7-5-10(15)8(13)6-9(7)14/h2-6,12,16H,1H3
InChIKeyQTDKJXBOXJKWDB-UHFFFAOYSA-N
XLogP3.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 106857596
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 62649885
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841710
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991309
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
1-(4-chloro-2,5-difluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016434
1-(4-chloro-2,5-difluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 82783004
1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 54880479
1-(4-chloro-2,5-difluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033221
1-(4-chloro-2,5-difluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82772858
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine (CID 82783225) is 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccco1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is QTDKJXBOXJKWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO/c1-16-12(11-3-2-4-17-11)7-5-10(15)8(13)6-9(7)14/h2-6,12,16H,1H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 257.67 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 82783225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).