3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine

C13H19F2N — CID 62528277

IUPAC3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-3-7-16-9-10(2)8-11-5-4-6-12(14)13(11)15/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyIGFRRUMRHQAJFS-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.14
Rot. Bonds6

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

3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 62528277) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID62528277
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-3-7-16-9-10(2)8-11-5-4-6-12(14)13(11)15/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyIGFRRUMRHQAJFS-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 64718771
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 64665620
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
3-(2,3-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 81015491
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528560
N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410212
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine (CID 62528277) is 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is IGFRRUMRHQAJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-7-16-9-10(2)8-11-5-4-6-12(14)13(11)15/h4-6,10,16H,3,7-9H2,1-2H3.
What are the key properties of 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 62528277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).