2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine

C15H19N3O3 — CID 80732162

IUPAC2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine
SMILESCc1ccc(C)n1Nc1cc(OC(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O3/c1-10(2)21-15-8-13(7-14(9-15)18(19)20)16-17-11(3)5-6-12(17)4/h5-10,16H,1-4H3
InChIKeyUDQZNVSIAKQGLL-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.68
Rot. Bonds5

About 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine

2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine (PubChem CID 80732162) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine
PubChem CID80732162
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine
SMILESCc1ccc(C)n1Nc1cc(OC(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O3/c1-10(2)21-15-8-13(7-14(9-15)18(19)20)16-17-11(3)5-6-12(17)4/h5-10,16H,1-4H3
InChIKeyUDQZNVSIAKQGLL-UHFFFAOYSA-N
XLogP3.68
TPSA69.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-3-nitro-5-propan-2-yloxyaniline
CID 80721910
4-N-(3-nitro-5-propan-2-yloxyphenyl)benzene-1,4-diamine
CID 80743530
N,2-dimethyl-N'-(3-nitro-5-propan-2-yloxyphenyl)propane-1,3-diamine
CID 115303118
3-nitro-5-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 80732659
N-(4-methylpentan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80724491
3-nitro-5-propan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
CID 80731798
N-(2,2-dimethylbutyl)-3-nitro-5-propan-2-yloxyaniline
CID 103462392
N-butyl-3-nitro-5-propan-2-yloxyaniline
CID 80722685
N-(1-methoxypropan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80722068
N-(furan-2-ylmethyl)-3-nitro-5-propan-2-yloxyaniline
CID 80723525
1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine
CID 102805986
N',N'-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 80721618

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine (CID 80732162) is 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine is Cc1ccc(C)n1Nc1cc(OC(C)C)cc([N+](=O)[O-])c1.
What is the InChIKey of 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine?
The InChIKey is UDQZNVSIAKQGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)21-15-8-13(7-14(9-15)18(19)20)16-17-11(3)5-6-12(17)4/h5-10,16H,1-4H3.
What are the key properties of 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine?
2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine is sourced from PubChem (CID 80732162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).