3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol

C14H20N2O3 — CID 43751277

IUPAC3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10(15-11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16(18)19/h2-3,7-8,10-12,15,17H,4-6,9H2,1H3
InChIKeyGDNOVDQAGMMXCN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.55
Rot. Bonds4

About 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol

3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 43751277) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
PubChem CID43751277
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10(15-11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16(18)19/h2-3,7-8,10-12,15,17H,4-6,9H2,1H3
InChIKeyGDNOVDQAGMMXCN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748840
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine
CID 61039638
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572
N-[1-(2-nitrophenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752333
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
(R)-cyclopentyl-(2-nitrophenyl)methanol
CID 125472167

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol (CID 43751277) is 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCC(O)C1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is GDNOVDQAGMMXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(15-11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16(18)19/h2-3,7-8,10-12,15,17H,4-6,9H2,1H3.
What are the key properties of 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol?
3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).