N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C17H25FN2O — CID 103519918

IUPACN-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFc1ccc(OCCCN(CC2CCCN2)C2CC2)cc1
InChIInChI=1S/C17H25FN2O/c18-14-4-8-17(9-5-14)21-12-2-11-20(16-6-7-16)13-15-3-1-10-19-15/h4-5,8-9,15-16,19H,1-3,6-7,10-13H2
InChIKeyAEUQKQLNCRQESW-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.81
Rot. Bonds8

About N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 103519918) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID103519918
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFc1ccc(OCCCN(CC2CCCN2)C2CC2)cc1
InChIInChI=1S/C17H25FN2O/c18-14-4-8-17(9-5-14)21-12-2-11-20(16-6-7-16)13-15-3-1-10-19-15/h4-5,8-9,15-16,19H,1-3,6-7,10-13H2
InChIKeyAEUQKQLNCRQESW-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)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-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106264936
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119695325
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631534

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 103519918) is N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is Fc1ccc(OCCCN(CC2CCCN2)C2CC2)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is AEUQKQLNCRQESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-14-4-8-17(9-5-14)21-12-2-11-20(16-6-7-16)13-15-3-1-10-19-15/h4-5,8-9,15-16,19H,1-3,6-7,10-13H2.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 292.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 103519918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).