[1-(4-nitroanilino)cyclohexyl]methanol

C13H18N2O3 — CID 62520982

IUPAC[1-(4-nitroanilino)cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(NC2(CO)CCCCC2)cc1
InChIInChI=1S/C13H18N2O3/c16-10-13(8-2-1-3-9-13)14-11-4-6-12(7-5-11)15(17)18/h4-7,14,16H,1-3,8-10H2
InChIKeyWPJAUZNEYDKNMN-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.70
Rot. Bonds4

About [1-(4-nitroanilino)cyclohexyl]methanol

[1-(4-nitroanilino)cyclohexyl]methanol (PubChem CID 62520982) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [1-(4-nitroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-nitroanilino)cyclohexyl]methanol
PubChem CID62520982
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[1-(4-nitroanilino)cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(NC2(CO)CCCCC2)cc1
InChIInChI=1S/C13H18N2O3/c16-10-13(8-2-1-3-9-13)14-11-4-6-12(7-5-11)15(17)18/h4-7,14,16H,1-3,8-10H2
InChIKeyWPJAUZNEYDKNMN-UHFFFAOYSA-N
XLogP2.70
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
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

[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
2-[1-(4-nitroanilino)cyclobutyl]acetic acid
CID 79845223
[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
CID 106749253
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
5-[[1-(hydroxymethyl)cyclobutyl]amino]-2-nitrobenzonitrile
CID 104844166
[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol
CID 62518469
[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
CID 11472201
[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
CID 80802785
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
[1-(4-propylsulfonylanilino)cyclohexyl]methanol
CID 62520983
1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951

Frequently Asked Questions

What is the IUPAC name of [1-(4-nitroanilino)cyclohexyl]methanol?
The IUPAC name of [1-(4-nitroanilino)cyclohexyl]methanol (CID 62520982) is [1-(4-nitroanilino)cyclohexyl]methanol.
What is the SMILES notation for [1-(4-nitroanilino)cyclohexyl]methanol?
The canonical SMILES for [1-(4-nitroanilino)cyclohexyl]methanol is O=[N+]([O-])c1ccc(NC2(CO)CCCCC2)cc1.
What is the InChIKey of [1-(4-nitroanilino)cyclohexyl]methanol?
The InChIKey is WPJAUZNEYDKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-13(8-2-1-3-9-13)14-11-4-6-12(7-5-11)15(17)18/h4-7,14,16H,1-3,8-10H2.
What are the key properties of [1-(4-nitroanilino)cyclohexyl]methanol?
[1-(4-nitroanilino)cyclohexyl]methanol has a molecular weight of 250.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitroanilino)cyclohexyl]methanol is sourced from PubChem (CID 62520982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).