1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine

C14H13ClFN — CID 54911684

IUPAC1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C14H13ClFN/c1-17-9-12-8-11(4-7-14(12)16)10-2-5-13(15)6-3-10/h2-8,17H,9H2,1H3
InChIKeyYTSRVNJVYBTQTF-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.87
Rot. Bonds3

About 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine

1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 54911684) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID54911684
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C14H13ClFN/c1-17-9-12-8-11(4-7-14(12)16)10-2-5-13(15)6-3-10/h2-8,17H,9H2,1H3
InChIKeyYTSRVNJVYBTQTF-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 116506604
1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
CID 66259190
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
1-[4-(3-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61227637
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine
CID 177195909
1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
CID 82669041

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine (CID 54911684) is 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine is CNCc1cc(-c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is YTSRVNJVYBTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-17-9-12-8-11(4-7-14(12)16)10-2-5-13(15)6-3-10/h2-8,17H,9H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 54911684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).