N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine

C15H19F2NO — CID 63273198

IUPACN-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
SMILESFc1ccc(F)c(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19F2NO/c16-12-5-6-13(17)14(9-12)19-8-7-18-15(10-1-2-10)11-3-4-11/h5-6,9-11,15,18H,1-4,7-8H2
InChIKeyPJTRCSZYTXTQTG-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.12
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine

N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine (PubChem CID 63273198) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
PubChem CID63273198
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
SMILESFc1ccc(F)c(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19F2NO/c16-12-5-6-13(17)14(9-12)19-8-7-18-15(10-1-2-10)11-3-4-11/h5-6,9-11,15,18H,1-4,7-8H2
InChIKeyPJTRCSZYTXTQTG-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine 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-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273332
N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
CID 55112761
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
N-[2-(2,5-difluorophenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 55167560
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine (CID 63273198) is N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine is Fc1ccc(F)c(OCCNC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
The InChIKey is PJTRCSZYTXTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-5-6-13(17)14(9-12)19-8-7-18-15(10-1-2-10)11-3-4-11/h5-6,9-11,15,18H,1-4,7-8H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine has a molecular weight of 267.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine is sourced from PubChem (CID 63273198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).