2-(2-methyl-4-nitroanilino)cyclohexan-1-ol

C13H18N2O3 — CID 62359446

IUPAC2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-9-8-10(15(17)18)6-7-11(9)14-12-4-2-3-5-13(12)16/h6-8,12-14,16H,2-5H2,1H3
InChIKeyRVMIQQTZVSAHOM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol

2-(2-methyl-4-nitroanilino)cyclohexan-1-ol (PubChem CID 62359446) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
PubChem CID62359446
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-9-8-10(15(17)18)6-7-11(9)14-12-4-2-3-5-13(12)16/h6-8,12-14,16H,2-5H2,1H3
InChIKeyRVMIQQTZVSAHOM-UHFFFAOYSA-N
XLogP2.62
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.62
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

trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535
2-(2-bromo-4-nitroanilino)cyclohexan-1-ol
CID 55063752
2-methyl-4-nitro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757267
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
2-methyl-N-(2-methyl-4-nitrophenyl)thiolan-3-amine
CID 114080058
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651
2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536624
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
CID 103720942
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 114504643

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol?
The IUPAC name of 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol (CID 62359446) is 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol is Cc1cc([N+](=O)[O-])ccc1NC1CCCCC1O.
What is the InChIKey of 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol?
The InChIKey is RVMIQQTZVSAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-8-10(15(17)18)6-7-11(9)14-12-4-2-3-5-13(12)16/h6-8,12-14,16H,2-5H2,1H3.
What are the key properties of 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol?
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol has a molecular weight of 250.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitroanilino)cyclohexan-1-ol is sourced from PubChem (CID 62359446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).