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

C17H20FN — CID 43221048

IUPAC1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccccc2F)cc1C
InChIInChI=1S/C17H20FN/c1-12-8-14(3)16(9-13(12)2)11-19-10-15-6-4-5-7-17(15)18/h4-9,19H,10-11H2,1-3H3
InChIKeyXYFRBFLMEPEVJU-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.04
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine (PubChem CID 43221048) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
PubChem CID43221048
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccccc2F)cc1C
InChIInChI=1S/C17H20FN/c1-12-8-14(3)16(9-13(12)2)11-19-10-15-6-4-5-7-17(15)18/h4-9,19H,10-11H2,1-3H3
InChIKeyXYFRBFLMEPEVJU-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 43221037
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80707816
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine (CID 43221048) is 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCc2ccccc2F)cc1C.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The InChIKey is XYFRBFLMEPEVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-8-14(3)16(9-13(12)2)11-19-10-15-6-4-5-7-17(15)18/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine has a molecular weight of 257.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 43221048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).