2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine

C13H17F2N — CID 103700276

IUPAC2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1cccc(F)c1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-13(2,10-6-7-10)16-8-9-4-3-5-11(14)12(9)15/h3-5,10,16H,6-8H2,1-2H3
InChIKeyYCQMKDCJVLGFFF-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.24
Rot. Bonds4

About 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine

2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine (PubChem CID 103700276) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
PubChem CID103700276
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1cccc(F)c1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-13(2,10-6-7-10)16-8-9-4-3-5-11(14)12(9)15/h3-5,10,16H,6-8H2,1-2H3
InChIKeyYCQMKDCJVLGFFF-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
CID 115630727
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 103700221
3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469141
2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid
CID 43658790
2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111977207
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 63408034
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103773729

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine (CID 103700276) is 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine is CC(C)(NCc1cccc(F)c1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine?
The InChIKey is YCQMKDCJVLGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-13(2,10-6-7-10)16-8-9-4-3-5-11(14)12(9)15/h3-5,10,16H,6-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine?
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine has a molecular weight of 225.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 103700276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).