1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol

C10H15N3O3 — CID 106751642

IUPAC1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol
SMILESCC(O)CN(C)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C10H15N3O3/c1-7(14)6-12(2)8-3-4-10(13(15)16)9(11)5-8/h3-5,7,14H,6,11H2,1-2H3
InChIKeyZMIZHAIVHDYEHS-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.99
Rot. Bonds4

About 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol

1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol (PubChem CID 106751642) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol
PubChem CID106751642
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol
SMILESCC(O)CN(C)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C10H15N3O3/c1-7(14)6-12(2)8-3-4-10(13(15)16)9(11)5-8/h3-5,7,14H,6,11H2,1-2H3
InChIKeyZMIZHAIVHDYEHS-UHFFFAOYSA-N
XLogP0.99
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-4-nitro-1-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 106751455
3-[2-hydroxypropyl(methyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82989102
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-4-nitrobenzene-1,3-diamine
CID 106751500
1-N-(3,5-dimethylphenyl)-1-N-methyl-4-nitrobenzene-1,3-diamine
CID 106751569
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-4-nitrobenzene-1,3-diamine
CID 106751680
2-(3-amino-4-nitro-N-pentan-3-ylanilino)ethanol
CID 106751588
3-amino-4-nitrophenol;ethane
CID 142035460
1-N-methyl-4-nitro-1-N-(2-piperazin-1-ylethyl)benzene-1,3-diamine
CID 106749826
1-[5-[2-methoxypropyl(methyl)amino]-2-nitrophenyl]ethanone
CID 112754463
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
1-N-ethyl-1-N-(2-methylprop-2-enyl)-4-nitrobenzene-1,3-diamine
CID 106751290
5-[2-hydroxypropyl(methyl)amino]-3-nitropyridine-2-carbonitrile
CID 86818327

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol?
The IUPAC name of 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol (CID 106751642) is 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol.
What is the SMILES notation for 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol?
The canonical SMILES for 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol is CC(O)CN(C)c1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol?
The InChIKey is ZMIZHAIVHDYEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(14)6-12(2)8-3-4-10(13(15)16)9(11)5-8/h3-5,7,14H,6,11H2,1-2H3.
What are the key properties of 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol?
1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol is sourced from PubChem (CID 106751642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).