(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine

C17H19F2N — CID 105050770

IUPAC(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C17H19F2N/c1-11(2)9-12-5-3-6-13(10-12)17(20)14-7-4-8-15(18)16(14)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyZYZBWRYZWFYABR-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.21
Rot. Bonds4

About (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine

(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 105050770) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID105050770
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C17H19F2N/c1-11(2)9-12-5-3-6-13(10-12)17(20)14-7-4-8-15(18)16(14)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyZYZBWRYZWFYABR-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105216968
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
CID 62648688
N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544290

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 105050770) is (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2cccc(F)c2F)c1.
What is the InChIKey of (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is ZYZBWRYZWFYABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11(2)9-12-5-3-6-13(10-12)17(20)14-7-4-8-15(18)16(14)19/h3-8,10-11,17H,9,20H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 275.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 105050770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).