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

C18H21F2N — CID 115859848

IUPAC1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1c(F)cccc1F
InChIInChI=1S/C18H21F2N/c1-3-12(2)16(13-8-5-4-6-9-13)18(21)17-14(19)10-7-11-15(17)20/h4-12,16,18H,3,21H2,1-2H3
InChIKeyKAALPFVQYAFZHQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.79
Rot. Bonds5

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

1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine (PubChem CID 115859848) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine
PubChem CID115859848
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1c(F)cccc1F
InChIInChI=1S/C18H21F2N/c1-3-12(2)16(13-8-5-4-6-9-13)18(21)17-14(19)10-7-11-15(17)20/h4-12,16,18H,3,21H2,1-2H3
InChIKeyKAALPFVQYAFZHQ-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
CID 114275421
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine
CID 106465039
1,3-difluoro-2-[(1S)-1-[(R)-[(1R)-1-phenylpropyl]sulfinyl]ethyl]benzene
CID 97318540
3-methyl-5-phenylheptan-4-amine
CID 105017445
6-methyl-5-phenyloct-1-yn-4-ol
CID 115839991
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine (CID 115859848) is 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine is CCC(C)C(c1ccccc1)C(N)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine?
The InChIKey is KAALPFVQYAFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-12(2)16(13-8-5-4-6-9-13)18(21)17-14(19)10-7-11-15(17)20/h4-12,16,18H,3,21H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine?
1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 115859848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).