1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

C18H22FN — CID 43480563

IUPAC1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13(2)12-14-8-10-15(11-9-14)18(20-3)16-6-4-5-7-17(16)19/h4-11,13,18,20H,12H2,1-3H3
InChIKeyACGQBTGADBPEQE-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.33
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 43480563) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID43480563
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13(2)12-14-8-10-15(11-9-14)18(20-3)16-6-4-5-7-17(16)19/h4-11,13,18,20H,12H2,1-3H3
InChIKeyACGQBTGADBPEQE-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488263
1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288
(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100681
1-[chloro-(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzene
CID 63430622
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908
1-(5-fluoro-2-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 63509375
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115827734
1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 115827761
[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105216968

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (CID 43480563) is 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is CNC(c1ccc(CC(C)C)cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is ACGQBTGADBPEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(2)12-14-8-10-15(11-9-14)18(20-3)16-6-4-5-7-17(16)19/h4-11,13,18,20H,12H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 271.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 43480563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).