2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline

C12H16N2O3 — CID 170769157

IUPAC2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
SMILESCN(C)c1cc([N+](=O)[O-])ccc1OC1CCC1
InChIInChI=1S/C12H16N2O3/c1-13(2)11-8-9(14(15)16)6-7-12(11)17-10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyZKPBUBLPGDSRCE-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.59
Rot. Bonds4

About 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline

2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline (PubChem CID 170769157) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline.

Molecular Properties

Compound Name2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
PubChem CID170769157
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
SMILESCN(C)c1cc([N+](=O)[O-])ccc1OC1CCC1
InChIInChI=1S/C12H16N2O3/c1-13(2)11-8-9(14(15)16)6-7-12(11)17-10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyZKPBUBLPGDSRCE-UHFFFAOYSA-N
XLogP2.59
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
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-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367
1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide;N-(2-cyclohexyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
CID 158974603
N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
CID 141225851
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
4-(2,4-dinitrophenoxy)piperidine
CID 62342248

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline?
The IUPAC name of 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline (CID 170769157) is 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline.
What is the SMILES notation for 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline?
The canonical SMILES for 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline is CN(C)c1cc([N+](=O)[O-])ccc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline?
The InChIKey is ZKPBUBLPGDSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13(2)11-8-9(14(15)16)6-7-12(11)17-10-4-3-5-10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline?
2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline has a molecular weight of 236.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline is sourced from PubChem (CID 170769157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).