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

C11H14ClN3O2 — CID 113458877

IUPACN-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2cccc(Cl)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H14ClN3O2/c1-14-6-5-8(7-14)13-10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3
InChIKeyRMTSTBXNCRDCIA-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.36
Rot. Bonds3

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

N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 113458877) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine
PubChem CID113458877
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC NameN-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2cccc(Cl)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H14ClN3O2/c1-14-6-5-8(7-14)13-10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3
InChIKeyRMTSTBXNCRDCIA-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine
CID 104835856
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
N-(3-chloro-2-nitrophenyl)oxan-4-amine
CID 104835729
tert-butyl 4-(3-chloro-2-nitroanilino)piperidine-1-carboxylate
CID 130431417
1-(3-chloro-2-pyridinyl)-N-(3-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133414404
1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 104839441
N-(4,5-dimethyl-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 55142177
N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 66065475
N-(3-chloro-2-nitrophenyl)-2,2-diethyloxan-4-amine
CID 104836068
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686
3-chloro-N-(2-methylsulfanylcyclohexyl)-2-nitroaniline
CID 114123762
3-N-(1-cyclopropylpyrrolidin-3-yl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80792318

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine (CID 113458877) is N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine is CN1CCC(Nc2cccc(Cl)c2[N+](=O)[O-])C1.
What is the InChIKey of N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is RMTSTBXNCRDCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-14-6-5-8(7-14)13-10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3.
What are the key properties of N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 255.70 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 113458877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).