1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

C18H22FN — CID 116544288

IUPAC1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13(2)11-14-7-6-8-15(12-14)18(20-3)16-9-4-5-10-17(16)19/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyLXGQKSQARJDQSS-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.33
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544288) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544288
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13(2)11-14-7-6-8-15(12-14)18(20-3)16-9-4-5-10-17(16)19/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyLXGQKSQARJDQSS-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

[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105216968
N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544290
1-(2-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050619
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
2-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544108
[(2,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105216707
1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490
[(2-fluoro-5-methylphenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105340640
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 116544315

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (CID 116544288) is 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is CNC(c1cccc(CC(C)C)c1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is LXGQKSQARJDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(2)11-14-7-6-8-15(12-14)18(20-3)16-9-4-5-10-17(16)19/h4-10,12-13,18,20H,11H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
1-(2-fluorophenyl)-N-methyl-1-[3-(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-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).