N-(1-methoxypropan-2-yl)-4-nitroaniline

C10H14N2O3 — CID 23104376

IUPACN-(1-methoxypropan-2-yl)-4-nitroaniline
SMILESCOCC(C)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O3/c1-8(7-15-2)11-9-3-5-10(6-4-9)12(13)14/h3-6,8,11H,7H2,1-2H3
InChIKeyCGKXVRSFGQJDNK-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.04
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-4-nitroaniline

N-(1-methoxypropan-2-yl)-4-nitroaniline (PubChem CID 23104376) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-nitroaniline.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-nitroaniline
PubChem CID23104376
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-(1-methoxypropan-2-yl)-4-nitroaniline
SMILESCOCC(C)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O3/c1-8(7-15-2)11-9-3-5-10(6-4-9)12(13)14/h3-6,8,11H,7H2,1-2H3
InChIKeyCGKXVRSFGQJDNK-UHFFFAOYSA-N
XLogP2.04
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.04
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

3-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 82864734
5-(1-methoxypropan-2-ylamino)-2-nitrobenzonitrile
CID 115348787
trimethyl-[2-(4-nitroanilino)propyl]azanium iodide
CID 22155036
2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 43078501
4-bromo-N-(1-methoxypropan-2-yl)-3-nitroaniline
CID 79768316
N-(1-methoxypropan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80722068
dimethyl 2-(4-nitroanilino)propanedioate
CID 71335725
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
N-[(2S)-3-methylbutan-2-yl]-4-nitroaniline
CID 28826145
4-nitro-N-nonan-2-ylaniline
CID 43719788
N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine
CID 82714520

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-nitroaniline?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-nitroaniline (CID 23104376) is N-(1-methoxypropan-2-yl)-4-nitroaniline.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-nitroaniline?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-nitroaniline is COCC(C)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-nitroaniline?
The InChIKey is CGKXVRSFGQJDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8(7-15-2)11-9-3-5-10(6-4-9)12(13)14/h3-6,8,11H,7H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-nitroaniline?
N-(1-methoxypropan-2-yl)-4-nitroaniline has a molecular weight of 210.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-nitroaniline is sourced from PubChem (CID 23104376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).