N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine

C14H18ClN3O2 — CID 78942716

IUPACN-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESO=[N+]([O-])c1cc(CNC2CCN(C3CC3)C2)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-13-4-1-10(7-14(13)18(19)20)8-16-11-5-6-17(9-11)12-2-3-12/h1,4,7,11-12,16H,2-3,5-6,8-9H2
InChIKeyWERFYVCQDHABOX-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine

N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine (PubChem CID 78942716) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
PubChem CID78942716
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESO=[N+]([O-])c1cc(CNC2CCN(C3CC3)C2)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-13-4-1-10(7-14(13)18(19)20)8-16-11-5-6-17(9-11)12-2-3-12/h1,4,7,11-12,16H,2-3,5-6,8-9H2
InChIKeyWERFYVCQDHABOX-UHFFFAOYSA-N
XLogP2.57
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.57
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-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine 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

1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 107349090
1-cyclopropyl-N-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-amine
CID 115980416
N-[(4-chloro-3-nitrophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701466
1-methyl-N-[(4-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 54949774
N-[(4-chloro-3-nitrophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702417
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
N-[(4-chloro-3-nitrophenyl)methyl]-2-methyloxolan-3-amine
CID 82725055
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523
N-[(4-chloro-3-nitrophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 78943672
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509
N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanecarboxamide
CID 90019905

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine (CID 78942716) is N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine is O=[N+]([O-])c1cc(CNC2CCN(C3CC3)C2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is WERFYVCQDHABOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-13-4-1-10(7-14(13)18(19)20)8-16-11-5-6-17(9-11)12-2-3-12/h1,4,7,11-12,16H,2-3,5-6,8-9H2.
What are the key properties of N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 295.77 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 78942716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).