N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine

C15H21F2N — CID 79443918

IUPACN-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine
SMILESCCC(C)C(CNC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2N/c1-3-10(2)15(9-18-14-4-5-14)11-6-12(16)8-13(17)7-11/h6-8,10,14-15,18H,3-5,9H2,1-2H3
InChIKeyYDOGAYSLHNKTQM-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine

N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine (PubChem CID 79443918) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine
PubChem CID79443918
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine
SMILESCCC(C)C(CNC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2N/c1-3-10(2)15(9-18-14-4-5-14)11-6-12(16)8-13(17)7-11/h6-8,10,14-15,18H,3-5,9H2,1-2H3
InChIKeyYDOGAYSLHNKTQM-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
1,3-difluoro-5-(4-methylhexan-3-yl)benzene
CID 91575659
2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 79443679
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 79446366
N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107887170
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
CID 102984848
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
CID 107886995
N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66242807
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine (CID 79443918) is N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine is CCC(C)C(CNC1CC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine?
The InChIKey is YDOGAYSLHNKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-10(2)15(9-18-14-4-5-14)11-6-12(16)8-13(17)7-11/h6-8,10,14-15,18H,3-5,9H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine?
N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine has a molecular weight of 253.34 g/mol, XLogP of 3.85, 6 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)-3-methylpentyl]cyclopropanamine is sourced from PubChem (CID 79443918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).