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

C19H24FN — CID 116544290

IUPACN-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)c1ccccc1F
InChIInChI=1S/C19H24FN/c1-4-21-19(17-10-5-6-11-18(17)20)16-9-7-8-15(13-16)12-14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyRKEWLWMVSTZWPK-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.72
Rot. Bonds6

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

N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 116544290) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID116544290
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)c1ccccc1F
InChIInChI=1S/C19H24FN/c1-4-21-19(17-10-5-6-11-18(17)20)16-9-7-8-15(13-16)12-14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyRKEWLWMVSTZWPK-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288
[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105216968
N-[(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488263
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[(3-fluoro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544944
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
[(2,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105216707
N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
CID 105188044
1-(2-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050619
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (CID 116544290) is N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is CCNC(c1cccc(CC(C)C)c1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is RKEWLWMVSTZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-4-21-19(17-10-5-6-11-18(17)20)16-9-7-8-15(13-16)12-14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 116544290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).