2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol

C14H20N2O3 — CID 61220239

IUPAC2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(CCNC2CCCCC2O)cc1
InChIInChI=1S/C14H20N2O3/c17-14-4-2-1-3-13(14)15-10-9-11-5-7-12(8-6-11)16(18)19/h5-8,13-15,17H,1-4,9-10H2
InChIKeyLYRSCJRQBIZUDF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol

2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 61220239) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
PubChem CID61220239
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(CCNC2CCCCC2O)cc1
InChIInChI=1S/C14H20N2O3/c17-14-4-2-1-3-13(14)15-10-9-11-5-7-12(8-6-11)16(18)19/h5-8,13-15,17H,1-4,9-10H2
InChIKeyLYRSCJRQBIZUDF-UHFFFAOYSA-N
XLogP2.03
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.03
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

N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
CID 129394205
2-[2-(4-nitrophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103243126
N-[(1R,2R)-2-hydroxycyclohexyl]-1-(4-nitrophenyl)methanesulfonamide
CID 104922450
1-N,2-N-bis[(4-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040612
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide
CID 11201055
3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64921989
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
CID 112633872
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-nitrophenyl)ethyl]urea
CID 75424039
N-[2-(4-nitrophenyl)ethyl]azepan-4-amine
CID 103981778
2-[(2,4-dinitrophenyl)methylamino]cyclohexan-1-ol
CID 66222847

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol (CID 61220239) is 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol is O=[N+]([O-])c1ccc(CCNC2CCCCC2O)cc1.
What is the InChIKey of 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is LYRSCJRQBIZUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-14-4-2-1-3-13(14)15-10-9-11-5-7-12(8-6-11)16(18)19/h5-8,13-15,17H,1-4,9-10H2.
What are the key properties of 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol?
2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 61220239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).