(N-ethyl-4-nitroanilino)methanol

C9H12N2O3 — CID 19938996

IUPAC(N-ethyl-4-nitroanilino)methanol
SMILESCCN(CO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3/c1-2-10(7-12)8-3-5-9(6-4-8)11(13)14/h3-6,12H,2,7H2,1H3
InChIKeyXRCBVCTZZFXEBO-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.37
Rot. Bonds4

About (N-ethyl-4-nitroanilino)methanol

(N-ethyl-4-nitroanilino)methanol (PubChem CID 19938996) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (N-ethyl-4-nitroanilino)methanol.

Molecular Properties

Compound Name(N-ethyl-4-nitroanilino)methanol
PubChem CID19938996
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(N-ethyl-4-nitroanilino)methanol
SMILESCCN(CO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3/c1-2-10(7-12)8-3-5-9(6-4-8)11(13)14/h3-6,12H,2,7H2,1H3
InChIKeyXRCBVCTZZFXEBO-UHFFFAOYSA-N
XLogP1.37
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
2-[N-(carboxymethyl)-4-nitroanilino]acetic acid
CID 21205647
N'-ethyl-N'-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethane-1,2-diamine
CID 90277351
methyl 2-(4-nitro-N-propylanilino)acetate
CID 62005200
N-butyl-N-ethyl-4-[2-(4-nitrophenyl)ethenyl]aniline
CID 67941461
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
CID 10913969
butane;ethane;N-ethyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline;propane
CID 142550072
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trifluoroethyl)aniline
CID 71367494
ethanol;1-methyl-4-nitrobenzene
CID 91088173
N,N-diethyl-4-[(2S,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 743655
N-ethyl-4-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133274078
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987

Frequently Asked Questions

What is the IUPAC name of (N-ethyl-4-nitroanilino)methanol?
The IUPAC name of (N-ethyl-4-nitroanilino)methanol (CID 19938996) is (N-ethyl-4-nitroanilino)methanol.
What is the SMILES notation for (N-ethyl-4-nitroanilino)methanol?
The canonical SMILES for (N-ethyl-4-nitroanilino)methanol is CCN(CO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (N-ethyl-4-nitroanilino)methanol?
The InChIKey is XRCBVCTZZFXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-10(7-12)8-3-5-9(6-4-8)11(13)14/h3-6,12H,2,7H2,1H3.
What are the key properties of (N-ethyl-4-nitroanilino)methanol?
(N-ethyl-4-nitroanilino)methanol has a molecular weight of 196.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-ethyl-4-nitroanilino)methanol is sourced from PubChem (CID 19938996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).