1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

C17H20FN — CID 64989689

IUPAC1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cccc(F)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H20FN/c1-11-8-13(3)16(9-12(11)2)17(19-4)14-6-5-7-15(18)10-14/h5-10,17,19H,1-4H3
InChIKeyQYEFLAUFECVZDH-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.06
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64989689) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID64989689
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cccc(F)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H20FN/c1-11-8-13(3)16(9-12(11)2)17(19-4)14-6-5-7-15(18)10-14/h5-10,17,19H,1-4H3
InChIKeyQYEFLAUFECVZDH-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116952174
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464
N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990056
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989656
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
[(4-fluoro-2-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192975

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (CID 64989689) is 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cccc(F)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is QYEFLAUFECVZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-8-13(3)16(9-12(11)2)17(19-4)14-6-5-7-15(18)10-14/h5-10,17,19H,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 257.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64989689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).