N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C15H20FN3O2 — CID 104979143

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESO=[N+]([O-])c1ccc(F)cc1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20FN3O2/c16-12-3-6-15(19(20)21)11(8-12)9-18(14-4-5-14)10-13-2-1-7-17-13/h3,6,8,13-14,17H,1-2,4-5,7,9-10H2
InChIKeyMGJYKLYLPOLEKZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.45
Rot. Bonds6

About N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 104979143) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID104979143
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESO=[N+]([O-])c1ccc(F)cc1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20FN3O2/c16-12-3-6-15(19(20)21)11(8-12)9-18(14-4-5-14)10-13-2-1-7-17-13/h3,6,8,13-14,17H,1-2,4-5,7,9-10H2
InChIKeyMGJYKLYLPOLEKZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(5-fluoro-2-nitrophenyl)methyl]-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-[(5-fluoro-2-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614171
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641136
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631534
5-fluoro-N-methyl-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642153
N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599891
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 62378347
N-[(2-chloro-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599665
N-[(5-fluoro-2-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 112841310
4-chloro-2-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 104973970

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 104979143) is N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is O=[N+]([O-])c1ccc(F)cc1CN(CC1CCCN1)C1CC1.
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is MGJYKLYLPOLEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-12-3-6-15(19(20)21)11(8-12)9-18(14-4-5-14)10-13-2-1-7-17-13/h3,6,8,13-14,17H,1-2,4-5,7,9-10H2.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 293.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104979143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).