1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine

C18H21F2N — CID 105055608

IUPAC1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1c(F)cccc1F)NC
InChIInChI=1S/C18H21F2N/c1-3-14(13-8-5-4-6-9-13)18(21-2)12-15-16(19)10-7-11-17(15)20/h4-11,14,18,21H,3,12H2,1-2H3
InChIKeyFILWSRKLEJETJW-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.29
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine

1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine (PubChem CID 105055608) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
PubChem CID105055608
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1c(F)cccc1F)NC
InChIInChI=1S/C18H21F2N/c1-3-14(13-8-5-4-6-9-13)18(21-2)12-15-16(19)10-7-11-17(15)20/h4-11,14,18,21H,3,12H2,1-2H3
InChIKeyFILWSRKLEJETJW-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 115839364
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
CID 115845128
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
[1-(2,6-difluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105323976
N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine
CID 107064091
N-methyl-1,5-diphenylheptan-4-amine
CID 115849452
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine (CID 105055608) is 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine is CCC(c1ccccc1)C(Cc1c(F)cccc1F)NC.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine?
The InChIKey is FILWSRKLEJETJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-14(13-8-5-4-6-9-13)18(21-2)12-15-16(19)10-7-11-17(15)20/h4-11,14,18,21H,3,12H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine?
1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine is sourced from PubChem (CID 105055608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).