1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine

C13H17F2N — CID 115728904

IUPAC1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1c(F)cccc1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-2-13(9-6-7-9)16-8-10-11(14)4-3-5-12(10)15/h3-5,9,13,16H,2,6-8H2,1H3
InChIKeyPHXGQMDTZAMXML-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.24
Rot. Bonds5

About 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine

1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine (PubChem CID 115728904) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
PubChem CID115728904
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1c(F)cccc1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-2-13(9-6-7-9)16-8-10-11(14)4-3-5-12(10)15/h3-5,9,13,16H,2,6-8H2,1H3
InChIKeyPHXGQMDTZAMXML-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
1-cyclopropyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 64918219
2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
CID 62406831
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
1-bromo-N-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114934223
1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 104791765
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine (CID 115728904) is 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine is CCC(NCc1c(F)cccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine?
The InChIKey is PHXGQMDTZAMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-13(9-6-7-9)16-8-10-11(14)4-3-5-12(10)15/h3-5,9,13,16H,2,6-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine?
1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115728904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).