N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine

C11H15N3O2 — CID 103144891

IUPACN-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC1CNC1
InChIInChI=1S/C11H15N3O2/c1-7-4-11(14(15)16)8(2)3-10(7)13-9-5-12-6-9/h3-4,9,12-13H,5-6H2,1-2H3
InChIKeyZUCQICIYHQPLDF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds3

About N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine

N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine (PubChem CID 103144891) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
PubChem CID103144891
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC1CNC1
InChIInChI=1S/C11H15N3O2/c1-7-4-11(14(15)16)8(2)3-10(7)13-9-5-12-6-9/h3-4,9,12-13H,5-6H2,1-2H3
InChIKeyZUCQICIYHQPLDF-UHFFFAOYSA-N
XLogP1.60
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine
CID 104757390
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 103145183
N-(2,5-dimethyl-4-nitrophenyl)-1-methylazepan-4-amine
CID 103144841
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164
N-(4,4-dimethylcyclohexyl)-2,4-dimethyl-5-nitroaniline
CID 104757636
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
N-(2,5-dimethyl-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 103145465
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
N-(4,5-dimethyl-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 55142177
4-(azetidin-3-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 66186796
N-(1-cyclopentylethyl)-2,5-dimethyl-4-nitroaniline
CID 103144991

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine?
The IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine (CID 103144891) is N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine.
What is the SMILES notation for N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine?
The canonical SMILES for N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine is Cc1cc([N+](=O)[O-])c(C)cc1NC1CNC1.
What is the InChIKey of N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine?
The InChIKey is ZUCQICIYHQPLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-4-11(14(15)16)8(2)3-10(7)13-9-5-12-6-9/h3-4,9,12-13H,5-6H2,1-2H3.
What are the key properties of N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine?
N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine has a molecular weight of 221.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine is sourced from PubChem (CID 103144891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).