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

C13H17F2N — CID 62704418

IUPACN-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-2-6-16-8-9-7-10(9)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyGQDKYZFBGNRFFZ-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.07
Rot. Bonds5

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

N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 62704418) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID62704418
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-2-6-16-8-9-7-10(9)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyGQDKYZFBGNRFFZ-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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Related Compounds

N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62708173
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 53275663
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
CID 63208002
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine
CID 76985907
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
CID 124705421
N-[[2-(3-bromo-2-fluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 106647015
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine (CID 62704418) is N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1c(F)cccc1F.
What is the InChIKey of N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is GQDKYZFBGNRFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-6-16-8-9-7-10(9)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3.
What are the key properties of N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine?
N-[[2-(2,6-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-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62704418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).