1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine

C11H15N3O2 — CID 62067743

IUPAC1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
SMILESCc1ccc(N2CCC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O2/c1-8-2-3-10(11(6-8)14(15)16)13-5-4-9(12)7-13/h2-3,6,9H,4-5,7,12H2,1H3
InChIKeyVPIBBTCLUPZXQX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.44
Rot. Bonds2

About 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine

1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine (PubChem CID 62067743) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
PubChem CID62067743
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
SMILESCc1ccc(N2CCC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O2/c1-8-2-3-10(11(6-8)14(15)16)13-5-4-9(12)7-13/h2-3,6,9H,4-5,7,12H2,1H3
InChIKeyVPIBBTCLUPZXQX-UHFFFAOYSA-N
XLogP1.44
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.44
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

(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
2-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 71865356
1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133341263
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)piperidin-4-amine
CID 134485466
N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
CID 61205011
N-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanesulfonamide
CID 75432011
2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355845
N-methyl-N-[[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 133341265
1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315864
ethyl 1-(4-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 62004724

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine (CID 62067743) is 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine is Cc1ccc(N2CCC(N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The InChIKey is VPIBBTCLUPZXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-3-10(11(6-8)14(15)16)13-5-4-9(12)7-13/h2-3,6,9H,4-5,7,12H2,1H3.
What are the key properties of 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine has a molecular weight of 221.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 62067743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).