1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine

C11H14ClN3O2 — CID 103577570

IUPAC1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC1N
InChIInChI=1S/C11H14ClN3O2/c1-7-5-14(6-9(7)13)11-4-8(12)2-3-10(11)15(16)17/h2-4,7,9H,5-6,13H2,1H3
InChIKeyMLXUFZIDNOHLTP-UHFFFAOYSA-N
MW255.71 g/mol
LogP2.03
Rot. Bonds2

About 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine

1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine (PubChem CID 103577570) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine
PubChem CID103577570
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC1N
InChIInChI=1S/C11H14ClN3O2/c1-7-5-14(6-9(7)13)11-4-8(12)2-3-10(11)15(16)17/h2-4,7,9H,5-6,13H2,1H3
InChIKeyMLXUFZIDNOHLTP-UHFFFAOYSA-N
XLogP2.03
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 52.03
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-[1-(5-chloro-2-nitrophenyl)azetidin-3-yl]ethanone
CID 90327098
5-(5-chloro-2-nitrophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115471898
1-[(4-chloro-2-nitrophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103577236
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867382
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
1-[(5-chloro-2-nitrophenyl)methyl]-4-methylpiperidin-3-amine
CID 79580403
1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide
CID 3890485
4-methyl-1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)pyrrolidin-3-amine
CID 103577760
[1-(5-chloro-2-nitrophenyl)-3-methylpiperidin-2-yl]methanamine
CID 115471870
5-(5-chloro-2-nitrophenyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115471899
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 103594229

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine (CID 103577570) is 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine is CC1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC1N.
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine?
The InChIKey is MLXUFZIDNOHLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-5-14(6-9(7)13)11-4-8(12)2-3-10(11)15(16)17/h2-4,7,9H,5-6,13H2,1H3.
What are the key properties of 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine?
1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine has a molecular weight of 255.71 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).