2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine

C14H19F2N — CID 107470447

IUPAC2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(NCc1cccc(C(F)F)c1)C1CC1
InChIInChI=1S/C14H19F2N/c1-14(2,12-6-7-12)17-9-10-4-3-5-11(8-10)13(15)16/h3-5,8,12-13,17H,6-7,9H2,1-2H3
InChIKeyNSUZBEVXVCEZQC-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.90
Rot. Bonds5

About 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine

2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 107470447) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID107470447
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(NCc1cccc(C(F)F)c1)C1CC1
InChIInChI=1S/C14H19F2N/c1-14(2,12-6-7-12)17-9-10-4-3-5-11(8-10)13(15)16/h3-5,8,12-13,17H,6-7,9H2,1-2H3
InChIKeyNSUZBEVXVCEZQC-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine
CID 115525884
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 103700181
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103773729
N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965604
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 103700221
1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine
CID 113328756
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115526581
2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
CID 103700096

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine (CID 107470447) is 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine is CC(C)(NCc1cccc(C(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is NSUZBEVXVCEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-14(2,12-6-7-12)17-9-10-4-3-5-11(8-10)13(15)16/h3-5,8,12-13,17H,6-7,9H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine?
2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107470447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).