N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine

C15H21F2N — CID 62717985

IUPACN-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H21F2N/c1-3-15(2,10-18-13-5-6-13)9-11-8-12(16)4-7-14(11)17/h4,7-8,13,18H,3,5-6,9-10H2,1-2H3
InChIKeyNUCXJKHSABHZTM-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds6

About N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine

N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 62717985) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID62717985
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H21F2N/c1-3-15(2,10-18-13-5-6-13)9-11-8-12(16)4-7-14(11)17/h4,7-8,13,18H,3,5-6,9-10H2,1-2H3
InChIKeyNUCXJKHSABHZTM-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine (CID 62717985) is N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine is CCC(C)(CNC1CC1)Cc1cc(F)ccc1F.
What is the InChIKey of N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is NUCXJKHSABHZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-15(2,10-18-13-5-6-13)9-11-8-12(16)4-7-14(11)17/h4,7-8,13,18H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine has a molecular weight of 253.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62717985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).