4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline

C15H22BrNO — CID 64850520

IUPAC4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
SMILESCCOC1CC(Nc2ccc(Br)cc2C)C1(C)C
InChIInChI=1S/C15H22BrNO/c1-5-18-14-9-13(15(14,3)4)17-12-7-6-11(16)8-10(12)2/h6-8,13-14,17H,5,9H2,1-4H3
InChIKeyNPKFACASMOVFDM-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.37
Rot. Bonds4

About 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline

4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline (PubChem CID 64850520) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
PubChem CID64850520
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
SMILESCCOC1CC(Nc2ccc(Br)cc2C)C1(C)C
InChIInChI=1S/C15H22BrNO/c1-5-18-14-9-13(15(14,3)4)17-12-7-6-11(16)8-10(12)2/h6-8,13-14,17H,5,9H2,1-4H3
InChIKeyNPKFACASMOVFDM-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 64851910
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoro-4-methylaniline
CID 64853264
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
CID 107630674
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-fluoro-2-methylaniline
CID 65168180
4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
CID 65167941
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methyl-2-nitroaniline
CID 64851524
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine
CID 114118711
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
5-bromo-2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzonitrile
CID 82708652

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline?
The IUPAC name of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline (CID 64850520) is 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline.
What is the SMILES notation for 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline?
The canonical SMILES for 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline is CCOC1CC(Nc2ccc(Br)cc2C)C1(C)C.
What is the InChIKey of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline?
The InChIKey is NPKFACASMOVFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-5-18-14-9-13(15(14,3)4)17-12-7-6-11(16)8-10(12)2/h6-8,13-14,17H,5,9H2,1-4H3.
What are the key properties of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline?
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline has a molecular weight of 312.25 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline is sourced from PubChem (CID 64850520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).