3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine

C14H20N2O3 — CID 66351549

IUPAC3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C14H20N2O3/c1-3-6-15-11-8-12(9-11)19-14-5-4-10(2)7-13(14)16(17)18/h4-5,7,11-12,15H,3,6,8-9H2,1-2H3
InChIKeyDPLPNVWJAVZPGQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine

3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66351549) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
PubChem CID66351549
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C14H20N2O3/c1-3-6-15-11-8-12(9-11)19-14-5-4-10(2)7-13(14)16(17)18/h4-5,7,11-12,15H,3,6,8-9H2,1-2H3
InChIKeyDPLPNVWJAVZPGQ-UHFFFAOYSA-N
XLogP2.81
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
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

3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
N-ethyl-3-(4-methoxy-2-nitrophenoxy)cyclobutan-1-amine
CID 66358766
N-ethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 82000897
3-(2-chloro-6-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 107719208
3-(4-methyl-2-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942567
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
4-methyl-2-nitro-1-octoxybenzene
CID 11708750
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine (CID 66351549) is 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is DPLPNVWJAVZPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-6-15-11-8-12(9-11)19-14-5-4-10(2)7-13(14)16(17)18/h4-5,7,11-12,15H,3,6,8-9H2,1-2H3.
What are the key properties of 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66351549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).