2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol

C14H20N2O3 — CID 102635912

IUPAC2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol
SMILESCc1ccc([N+](=O)[O-])c(N(C)C2CCCCC2O)c1
InChIInChI=1S/C14H20N2O3/c1-10-7-8-11(16(18)19)13(9-10)15(2)12-5-3-4-6-14(12)17/h7-9,12,14,17H,3-6H2,1-2H3
InChIKeyXVERPWJPPOFXKI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.64
Rot. Bonds3

About 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol

2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol (PubChem CID 102635912) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol
PubChem CID102635912
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol
SMILESCc1ccc([N+](=O)[O-])c(N(C)C2CCCCC2O)c1
InChIInChI=1S/C14H20N2O3/c1-10-7-8-11(16(18)19)13(9-10)15(2)12-5-3-4-6-14(12)17/h7-9,12,14,17H,3-6H2,1-2H3
InChIKeyXVERPWJPPOFXKI-UHFFFAOYSA-N
XLogP2.64
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.64
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-methyl-2,4-dinitroanilino)cyclohexan-1-ol
CID 102636088
4-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]-N-methyl-3-nitrobenzenesulfonamide
CID 86801776
2-[(5-chloro-2-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636666
3-[cycloheptyl(methyl)amino]-4-nitrobenzoic acid
CID 82769878
6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid
CID 102632500
2-[(3-bromo-5-nitro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 103519756
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-nitrobenzenesulfonamide
CID 19916369
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
CID 19061815
4-[(N,5-dimethyl-2-nitroanilino)methyl]oxan-4-ol
CID 114952117
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
2-cyclopentylsulfinyl-4-methyl-1-nitrobenzene
CID 66999062
N-[2-(aminomethyl)cyclohexyl]-4-iodo-N-methyl-2-nitroaniline
CID 66081514

Frequently Asked Questions

What is the IUPAC name of 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol?
The IUPAC name of 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol (CID 102635912) is 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol is Cc1ccc([N+](=O)[O-])c(N(C)C2CCCCC2O)c1.
What is the InChIKey of 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol?
The InChIKey is XVERPWJPPOFXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-8-11(16(18)19)13(9-10)15(2)12-5-3-4-6-14(12)17/h7-9,12,14,17H,3-6H2,1-2H3.
What are the key properties of 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol?
2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,5-dimethyl-2-nitroanilino)cyclohexan-1-ol is sourced from PubChem (CID 102635912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).