1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

C18H22FN — CID 64989956

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(F)ccc1C)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H22FN/c1-11-6-7-15(19)10-17(11)18(20-5)16-9-13(3)12(2)8-14(16)4/h6-10,18,20H,1-5H3
InChIKeySJHJGFHFBDMXMA-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.37
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64989956) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID64989956
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(F)ccc1C)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H22FN/c1-11-6-7-15(19)10-17(11)18(20-5)16-9-13(3)12(2)8-14(16)4/h6-10,18,20H,1-5H3
InChIKeySJHJGFHFBDMXMA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989656
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2-tert-butylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852086
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755234
1-(5-fluoro-2-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065509
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049999
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
N-methyl-1-(4-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 114878144
[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105256714

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (CID 64989956) is 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(F)ccc1C)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is SJHJGFHFBDMXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-11-6-7-15(19)10-17(11)18(20-5)16-9-13(3)12(2)8-14(16)4/h6-10,18,20H,1-5H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 271.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64989956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).