2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol

C14H20N2O3 — CID 112633872

IUPAC2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O3/c1-14(2)12(9-13(14)17)15-8-7-10-3-5-11(6-4-10)16(18)19/h3-6,12-13,15,17H,7-9H2,1-2H3
InChIKeyNYUVPWIMLDAMRB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.89
Rot. Bonds5

About 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol

2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol (PubChem CID 112633872) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
PubChem CID112633872
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O3/c1-14(2)12(9-13(14)17)15-8-7-10-3-5-11(6-4-10)16(18)19/h3-6,12-13,15,17H,7-9H2,1-2H3
InChIKeyNYUVPWIMLDAMRB-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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'}

Analyze 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
2-[2-(4-nitrophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103243126
2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine
CID 81416896
trans-(1S,3S)-2,2-dimethyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 124512974
3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 106129887
2,2-dimethyl-3-[(2-methyl-3-nitrophenyl)methylamino]cyclobutan-1-ol
CID 114629537
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 61219668
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64921989

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol (CID 112633872) is 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol is CC1(C)C(O)CC1NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol?
The InChIKey is NYUVPWIMLDAMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)12(9-13(14)17)15-8-7-10-3-5-11(6-4-10)16(18)19/h3-6,12-13,15,17H,7-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 112633872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).