N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine

C15H22N2O4 — CID 66358965

IUPACN-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cc([N+](=O)[O-])ccc2OC)C1(C)C
InChIInChI=1S/C15H22N2O4/c1-5-16-13-9-14(15(13,2)3)21-12-8-10(17(18)19)6-7-11(12)20-4/h6-8,13-14,16H,5,9H2,1-4H3
InChIKeyCWTUXJKVAOOJBA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.76
Rot. Bonds6

About N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine

N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66358965) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66358965
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cc([N+](=O)[O-])ccc2OC)C1(C)C
InChIInChI=1S/C15H22N2O4/c1-5-16-13-9-14(15(13,2)3)21-12-8-10(17(18)19)6-7-11(12)20-4/h6-8,13-14,16H,5,9H2,1-4H3
InChIKeyCWTUXJKVAOOJBA-UHFFFAOYSA-N
XLogP2.76
TPSA73.63 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 ≤ 52.76
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'}

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Related Compounds

N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
2-(3-chloro-2,2-diethylcyclobutyl)oxy-1-methoxy-4-nitrobenzene
CID 66345076
3-(2-bromo-5-nitrophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 103013187
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine
CID 81417303
2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66358081
3-(2-chloro-5-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66353129
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66352664
3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66352422
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
3-(2-bromo-5-nitrophenoxy)-N-ethylcyclobutan-1-amine
CID 103013152

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine (CID 66358965) is N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine is CCNC1CC(Oc2cc([N+](=O)[O-])ccc2OC)C1(C)C.
What is the InChIKey of N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is CWTUXJKVAOOJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-16-13-9-14(15(13,2)3)21-12-8-10(17(18)19)6-7-11(12)20-4/h6-8,13-14,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine?
N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 294.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).