[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol

C14H20N2O3 — CID 103846647

IUPAC[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
SMILESCc1ccc(NC2CCCCC2CO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-13(14(8-10)16(18)19)15-12-5-3-2-4-11(12)9-17/h6-8,11-12,15,17H,2-5,9H2,1H3
InChIKeyBAIAMRKZYKPBJP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds4

About [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol

[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol (PubChem CID 103846647) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
PubChem CID103846647
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
SMILESCc1ccc(NC2CCCCC2CO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-13(14(8-10)16(18)19)15-12-5-3-2-4-11(12)9-17/h6-8,11-12,15,17H,2-5,9H2,1H3
InChIKeyBAIAMRKZYKPBJP-UHFFFAOYSA-N
XLogP2.87
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
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

2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496300
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
[2-(2-bromo-5-methyl-4-nitroanilino)cyclohexyl]methanol
CID 106362293
[2-(4,5-dimethoxy-2-nitroanilino)cyclopentyl]methanol
CID 106361972
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
2-[2-(4-methylsulfonyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496144
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-nitrobenzoic acid
CID 106361835
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594201
4-methyl-2-nitro-N-(oxan-2-yloxy)aniline
CID 133389460
2-(4-acetyl-2-nitroanilino)cyclohexane-1-carboxamide
CID 133365757

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol?
The IUPAC name of [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol (CID 103846647) is [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol.
What is the SMILES notation for [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol?
The canonical SMILES for [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol is Cc1ccc(NC2CCCCC2CO)c([N+](=O)[O-])c1.
What is the InChIKey of [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol?
The InChIKey is BAIAMRKZYKPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-7-13(14(8-10)16(18)19)15-12-5-3-2-4-11(12)9-17/h6-8,11-12,15,17H,2-5,9H2,1H3.
What are the key properties of [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol?
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol has a molecular weight of 264.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-nitroanilino)cyclohexyl]methanol is sourced from PubChem (CID 103846647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).