1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol

C13H21N3O3 — CID 103837715

IUPAC1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)(O)CN(C)C)c1
InChIInChI=1S/C13H21N3O3/c1-10-5-6-12(16(18)19)11(7-10)14-8-13(2,17)9-15(3)4/h5-7,14,17H,8-9H2,1-4H3
InChIKeyILIKGRQHMMLFOX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.63
Rot. Bonds6

About 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol (PubChem CID 103837715) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol
PubChem CID103837715
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)(O)CN(C)C)c1
InChIInChI=1S/C13H21N3O3/c1-10-5-6-12(16(18)19)11(7-10)14-8-13(2,17)9-15(3)4/h5-7,14,17H,8-9H2,1-4H3
InChIKeyILIKGRQHMMLFOX-UHFFFAOYSA-N
XLogP1.63
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-4-nitrobenzoic acid
CID 106148823
1-(dimethylamino)-3-(2-iodo-4-nitroanilino)-2-methylpropan-2-ol
CID 106145416
1-(dimethylamino)-2-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 106150176
5-methyl-N-(2-methylpropyl)-2-nitroaniline
CID 75356397
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520
1-(dimethylamino)-2-methyl-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 103838849
1-(dimethylamino)-3-(3-ethoxy-2-nitroanilino)-2-methylpropan-2-ol
CID 104695638
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoro-2-nitrobenzamide
CID 103839887
[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol
CID 107232360
4-methyl-2-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115912338
1-[(2-chloro-5-nitropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149430
2,2-dimethyl-3-(4-methyl-2-nitroanilino)propan-1-ol
CID 81411428

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol (CID 103837715) is 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol is Cc1ccc([N+](=O)[O-])c(NCC(C)(O)CN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol?
The InChIKey is ILIKGRQHMMLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-5-6-12(16(18)19)11(7-10)14-8-13(2,17)9-15(3)4/h5-7,14,17H,8-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(5-methyl-2-nitroanilino)propan-2-ol is sourced from PubChem (CID 103837715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).