N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine

C14H19F2N — CID 64560260

IUPACN-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H19F2N/c1-10(2)17-9-14(6-3-7-14)12-5-4-11(15)8-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyHJXLFLAYPXFWJE-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.38
Rot. Bonds4

About N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine

N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 64560260) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID64560260
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H19F2N/c1-10(2)17-9-14(6-3-7-14)12-5-4-11(15)8-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyHJXLFLAYPXFWJE-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79682025
[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]methyl]propan-2-amine
CID 65001631
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
CID 75393986
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine (CID 64560260) is N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(c2ccc(F)cc2F)CCC1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is HJXLFLAYPXFWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10(2)17-9-14(6-3-7-14)12-5-4-11(15)8-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 64560260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).