3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine

C15H22N2O4 — CID 107943628

IUPAC3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-4-5-20-15-11(16)8-13(15)21-14-10(3)6-9(2)7-12(14)17(18)19/h6-7,11,13,15H,4-5,8,16H2,1-3H3
InChIKeyYDMXVCZENKXDON-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.49
Rot. Bonds6

About 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine

3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943628) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943628
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-4-5-20-15-11(16)8-13(15)21-14-10(3)6-9(2)7-12(14)17(18)19/h6-7,11,13,15H,4-5,8,16H2,1-3H3
InChIKeyYDMXVCZENKXDON-UHFFFAOYSA-N
XLogP2.49
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine 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

3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-one
CID 107942329
5-bromo-2-(3-bromo-2-propoxycyclobutyl)oxy-1-methyl-3-nitrobenzene
CID 107943036
3-(2,4-dimethyl-6-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66351124
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943256
3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943559
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
trans-(1S,2S)-2-(2,4-dimethyl-6-nitrophenoxy)cyclopentan-1-ol
CID 102735489
3-(5-chloro-2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943636
2-(3-chloro-2-propoxycyclobutyl)oxy-1,3,5-trimethylbenzene
CID 107942940
2-(3-bromo-2,2-diethylcyclobutyl)oxy-1,5-dimethyl-3-nitrobenzene
CID 66344524
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1,5-dimethyl-3-nitrobenzene
CID 66344736
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine (CID 107943628) is 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1c(C)cc(C)cc1[N+](=O)[O-].
What is the InChIKey of 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is YDMXVCZENKXDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-5-20-15-11(16)8-13(15)21-14-10(3)6-9(2)7-12(14)17(18)19/h6-7,11,13,15H,4-5,8,16H2,1-3H3.
What are the key properties of 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine?
3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 294.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).