N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine

C13H17F2N — CID 62708173

IUPACN-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-2-5-16-8-9-6-12(9)11-4-3-10(14)7-13(11)15/h3-4,7,9,12,16H,2,5-6,8H2,1H3
InChIKeyOCRXONDMEHKRSU-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine

N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 62708173) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID62708173
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-2-5-16-8-9-6-12(9)11-4-3-10(14)7-13(11)15/h3-4,7,9,12,16H,2,5-6,8H2,1H3
InChIKeyOCRXONDMEHKRSU-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine (CID 62708173) is N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is OCRXONDMEHKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-5-16-8-9-6-12(9)11-4-3-10(14)7-13(11)15/h3-4,7,9,12,16H,2,5-6,8H2,1H3.
What are the key properties of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62708173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).