N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine

C15H21F2N — CID 79522643

IUPACN-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1c(F)cccc1F
InChIInChI=1S/C15H21F2N/c1-2-9-18-14(10-11-5-3-6-11)15-12(16)7-4-8-13(15)17/h4,7-8,11,14,18H,2-3,5-6,9-10H2,1H3
InChIKeyVFINXAHVRRMWCZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.20
Rot. Bonds6

About N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine (PubChem CID 79522643) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
PubChem CID79522643
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1c(F)cccc1F
InChIInChI=1S/C15H21F2N/c1-2-9-18-14(10-11-5-3-6-11)15-12(16)7-4-8-13(15)17/h4,7-8,11,14,18H,2-3,5-6,9-10H2,1H3
InChIKeyVFINXAHVRRMWCZ-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[1-(2-bromo-6-fluorophenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 114887332
1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
[2-cycloheptyl-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105308040
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine (CID 79522643) is N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1c(F)cccc1F.
What is the InChIKey of N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is VFINXAHVRRMWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-2-9-18-14(10-11-5-3-6-11)15-12(16)7-4-8-13(15)17/h4,7-8,11,14,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79522643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).