N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine

C15H21F2N — CID 65308387

IUPACN-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine
SMILESFc1ccc(F)c(CCCCCCNC2CC2)c1
InChIInChI=1S/C15H21F2N/c16-13-6-9-15(17)12(11-13)5-3-1-2-4-10-18-14-7-8-14/h6,9,11,14,18H,1-5,7-8,10H2
InChIKeyNNFBKLSBEMKUGS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.82
Rot. Bonds8

About N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine

N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine (PubChem CID 65308387) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine
PubChem CID65308387
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine
SMILESFc1ccc(F)c(CCCCCCNC2CC2)c1
InChIInChI=1S/C15H21F2N/c16-13-6-9-15(17)12(11-13)5-3-1-2-4-10-18-14-7-8-14/h6,9,11,14,18H,1-5,7-8,10H2
InChIKeyNNFBKLSBEMKUGS-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2,5-difluorophenyl)sulfanylbutyl]cyclopropanamine
CID 62577626
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one
CID 64502889
N-[(2,5-difluorophenyl)methyl]-1,1-dioxothian-4-amine
CID 43614880
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine (CID 65308387) is N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine is Fc1ccc(F)c(CCCCCCNC2CC2)c1.
What is the InChIKey of N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine?
The InChIKey is NNFBKLSBEMKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-13-6-9-15(17)12(11-13)5-3-1-2-4-10-18-14-7-8-14/h6,9,11,14,18H,1-5,7-8,10H2.
What are the key properties of N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine?
N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine has a molecular weight of 253.34 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine is sourced from PubChem (CID 65308387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).