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

C14H19F2N — CID 43496319

IUPACN-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C1CCC1
InChIInChI=1S/C14H19F2N/c1-2-8-17-14(10-4-3-5-10)12-7-6-11(15)9-13(12)16/h6-7,9-10,14,17H,2-5,8H2,1H3
InChIKeyQFXXIWMPYIDOTE-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.81
Rot. Bonds5

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

N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine (PubChem CID 43496319) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
PubChem CID43496319
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C1CCC1
InChIInChI=1S/C14H19F2N/c1-2-8-17-14(10-4-3-5-10)12-7-6-11(15)9-13(12)16/h6-7,9-10,14,17H,2-5,8H2,1H3
InChIKeyQFXXIWMPYIDOTE-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine (CID 43496319) is N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1F)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine?
The InChIKey is QFXXIWMPYIDOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-8-17-14(10-4-3-5-10)12-7-6-11(15)9-13(12)16/h6-7,9-10,14,17H,2-5,8H2,1H3.
What are the key properties of N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine?
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).