N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine

C15H19F2N — CID 81017651

IUPACN-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESFc1cccc(CC2CCC2CNC2CC2)c1F
InChIInChI=1S/C15H19F2N/c16-14-3-1-2-11(15(14)17)8-10-4-5-12(10)9-18-13-6-7-13/h1-3,10,12-13,18H,4-9H2
InChIKeyPRHVABCUVQIYDD-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.29
Rot. Bonds5

About N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine

N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017651) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID81017651
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC NameN-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESFc1cccc(CC2CCC2CNC2CC2)c1F
InChIInChI=1S/C15H19F2N/c16-14-3-1-2-11(15(14)17)8-10-4-5-12(10)9-18-13-6-7-13/h1-3,10,12-13,18H,4-9H2
InChIKeyPRHVABCUVQIYDD-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine
CID 79368837
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
4-bromo-3-[(2,3-difluorophenyl)methyl]oxane
CID 106471640
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
4-[(2,3-difluorophenyl)methyl]thiolan-3-ol
CID 83190277
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 81017651) is N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine is Fc1cccc(CC2CCC2CNC2CC2)c1F.
What is the InChIKey of N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is PRHVABCUVQIYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c16-14-3-1-2-11(15(14)17)8-10-4-5-12(10)9-18-13-6-7-13/h1-3,10,12-13,18H,4-9H2.
What are the key properties of N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 251.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81017651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).