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

C10H13ClN2O3 — CID 43078501

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
SMILESCOCC(C)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-7(6-16-2)12-10-4-3-8(13(14)15)5-9(10)11/h3-5,7,12H,6H2,1-2H3
InChIKeyOQGSLSYPWJODAD-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.69
Rot. Bonds5

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

2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline (PubChem CID 43078501) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
PubChem CID43078501
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
SMILESCOCC(C)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-7(6-16-2)12-10-4-3-8(13(14)15)5-9(10)11/h3-5,7,12H,6H2,1-2H3
InChIKeyOQGSLSYPWJODAD-UHFFFAOYSA-N
XLogP2.69
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.69
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

2-N-(2-chloro-4-nitrophenyl)propane-1,2-diamine
CID 63731096
3-(2-chloro-4-nitroanilino)butanamide
CID 115647560
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
2-chloro-N-(3-ethylpentan-2-yl)-4-nitroaniline
CID 63837104
3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 86657661
4-N-(2-chloro-4-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43078532
3-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 82864734
2-iodo-N-(4-methoxybutan-2-yl)-4-nitroaniline
CID 66094726
2-(2-chloro-4-nitroanilino)-4-methylpentanoic acid
CID 55133626
2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-nitroaniline
CID 43686191
(2S)-2-(2-chloro-4-nitroanilino)-4-methylpentanamide
CID 102502036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline (CID 43078501) is 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline is COCC(C)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline?
The InChIKey is OQGSLSYPWJODAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-7(6-16-2)12-10-4-3-8(13(14)15)5-9(10)11/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline?
2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline has a molecular weight of 244.68 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline is sourced from PubChem (CID 43078501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).