2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine

C13H17F2N — CID 115592592

IUPAC2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCC(CNCc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-9(10-2-3-10)7-16-8-11-6-12(14)4-5-13(11)15/h4-6,9-10,16H,2-3,7-8H2,1H3
InChIKeyPFDSYDRKLXSCOR-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.10
Rot. Bonds5

About 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine

2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine (PubChem CID 115592592) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
PubChem CID115592592
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCC(CNCc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-9(10-2-3-10)7-16-8-11-6-12(14)4-5-13(11)15/h4-6,9-10,16H,2-3,7-8H2,1H3
InChIKeyPFDSYDRKLXSCOR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
CID 113475198
tert-butyl 4-[1-[[2-(2,5-difluorophenyl)acetyl]amino]propan-2-yl]piperidine-1-carboxylate
CID 53322450
N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115695890
3-[(2,5-difluorophenyl)methylamino]-2-(methylamino)propanoic acid
CID 115256098
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
CID 114982150
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine (CID 115592592) is 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine is CC(CNCc1cc(F)ccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine?
The InChIKey is PFDSYDRKLXSCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(10-2-3-10)7-16-8-11-6-12(14)4-5-13(11)15/h4-6,9-10,16H,2-3,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine?
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115592592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).