N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine

C14H19F2N — CID 81018163

IUPACN-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N/c1-9(2)17-8-10-3-4-14(10)11-5-12(15)7-13(16)6-11/h5-7,9-10,14,17H,3-4,8H2,1-2H3
InChIKeyDMVVJSNRWLOVEQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.46
Rot. Bonds4

About N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine

N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81018163) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID81018163
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N/c1-9(2)17-8-10-3-4-14(10)11-5-12(15)7-13(16)6-11/h5-7,9-10,14,17H,3-4,8H2,1-2H3
InChIKeyDMVVJSNRWLOVEQ-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine (CID 81018163) is N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1c1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is DMVVJSNRWLOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9(2)17-8-10-3-4-14(10)11-5-12(15)7-13(16)6-11/h5-7,9-10,14,17H,3-4,8H2,1-2H3.
What are the key properties of N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81018163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).