1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine

C11H14ClN3O2 — CID 104839441

IUPAC1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cccc(Cl)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H14ClN3O2/c1-13-8-5-6-14(7-8)10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3
InChIKeyVSDBBVHKJOIMBV-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.05
Rot. Bonds3

About 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine

1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine (PubChem CID 104839441) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
PubChem CID104839441
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cccc(Cl)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H14ClN3O2/c1-13-8-5-6-14(7-8)10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3
InChIKeyVSDBBVHKJOIMBV-UHFFFAOYSA-N
XLogP2.05
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.05
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'}

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Related Compounds

1-(3-chloro-2-nitrophenyl)-3-(trifluoromethyl)pyrrolidine
CID 114271952
1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 104838828
[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol
CID 104839141
1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
CID 60862142
2-[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 114799159
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
1-(2,4-dinitrophenyl)-N-methylpyrrolidin-3-amine
CID 115300843
4-(3-chloro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 104838904
N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
CID 115300967
4-(3-chloro-2-nitrophenyl)morpholine-2-carboxylic acid
CID 104835149
1-(3-chloro-2-nitrophenyl)-4-methylsulfonylpiperazine
CID 104839007

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine (CID 104839441) is 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine is CNC1CCN(c2cccc(Cl)c2[N+](=O)[O-])C1.
What is the InChIKey of 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is VSDBBVHKJOIMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-13-8-5-6-14(7-8)10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine?
1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 255.70 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 104839441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).